Entering Link 1 = C:\G09W\l1.exe PID= 2260. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision A.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009. ****************************************** Gaussian 09: IA32W-G09RevA.02 11-Jun-2009 24-Jan-2011 ****************************************** %chk=C:\root\Projekte\Praesentation\www\homepage\L\kc2\orbitals\nico4_mos.chk ------------------------------------------------------ # opt b3lyp/tzvp geom=connectivity pop=full symm=loose ------------------------------------------------------ 1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3; 2/9=110,12=2,17=4,18=3,40=1/2; 3/5=19,7=101,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 7//1,2,3,16; 1/14=-1,18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=19,7=101,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/14=-1,18=20,19=15/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Ni -0.78652 -0.35581 0. C -0.14651 0.54928 -1.56767 C -0.14654 -2.16601 0. C -0.14651 0.54928 1.56767 C -2.70652 -0.35578 0. O 0.2253 1.07508 -2.47839 O 0.2253 1.07508 2.47839 O -3.82192 -0.35576 0. O 0.22525 -3.21762 0. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.92 estimate D2E/DX2 ! ! R2 R(1,3) 1.92 estimate D2E/DX2 ! ! R3 R(1,4) 1.92 estimate D2E/DX2 ! ! R4 R(1,5) 1.92 estimate D2E/DX2 ! ! R5 R(2,6) 1.1154 estimate D2E/DX2 ! ! R6 R(3,9) 1.1154 estimate D2E/DX2 ! ! R7 R(4,7) 1.1154 estimate D2E/DX2 ! ! R8 R(5,8) 1.1154 estimate D2E/DX2 ! ! A1 A(2,1,3) 109.4712 estimate D2E/DX2 ! ! A2 A(2,1,4) 109.4713 estimate D2E/DX2 ! ! A3 A(2,1,5) 109.4712 estimate D2E/DX2 ! ! A4 A(3,1,4) 109.4712 estimate D2E/DX2 ! ! A5 A(3,1,5) 109.4712 estimate D2E/DX2 ! ! A6 A(4,1,5) 109.4712 estimate D2E/DX2 ! ! A7 L(1,2,6,3,-1) 180.0 estimate D2E/DX2 ! ! A8 L(1,3,9,2,-1) 180.0 estimate D2E/DX2 ! ! A9 L(1,4,7,3,-1) 180.0 estimate D2E/DX2 ! ! A10 L(1,5,8,2,-1) 179.9997 estimate D2E/DX2 ! ! A11 L(1,2,6,3,-2) 180.0 estimate D2E/DX2 ! ! A12 L(1,3,9,2,-2) 180.0 estimate D2E/DX2 ! ! A13 L(1,4,7,3,-2) 180.0 estimate D2E/DX2 ! ! A14 L(1,5,8,2,-2) 180.0008 estimate D2E/DX2 ! ! D1 D(2,1,4,3) -120.0 estimate D2E/DX2 ! ! D2 D(2,1,5,3) 120.0 estimate D2E/DX2 ! ! D3 D(2,1,5,4) -120.0 estimate D2E/DX2 ! ! D4 D(3,1,5,4) 120.0 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 36 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 -0.786517 -0.355805 0.000000 2 6 0 -0.146506 0.549283 -1.567674 3 6 0 -0.146539 -2.166006 0.000000 4 6 0 -0.146506 0.549283 1.567674 5 6 0 -2.706517 -0.355782 0.000000 6 8 0 0.225301 1.075083 -2.478394 7 8 0 0.225301 1.075083 2.478394 8 8 0 -3.821917 -0.355757 -0.000001 9 8 0 0.225248 -3.217620 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Ni 0.000000 2 C 1.920000 0.000000 3 C 1.920000 3.135347 0.000000 4 C 1.920000 3.135347 3.135347 0.000000 5 C 1.920000 3.135347 3.135347 3.135347 0.000000 6 O 3.035400 1.115400 4.096994 4.096995 4.096995 7 O 3.035400 4.096995 4.096994 1.115400 4.096995 8 O 3.035400 4.096992 4.097000 4.096993 1.115400 9 O 3.035400 4.096994 1.115400 4.096994 4.096995 6 7 8 9 6 O 0.000000 7 O 4.956788 0.000000 8 O 4.956784 4.956785 0.000000 9 O 4.956787 4.956787 4.956794 0.000000 Stoichiometry C4NiO4 Framework group TD[O(Ni),4C3(.CO)] Deg. of freedom 2 Full point group TD NOp 24 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 2 6 0 1.108512 1.108512 1.108512 3 6 0 -1.108512 -1.108512 1.108512 4 6 0 -1.108512 1.108512 -1.108512 5 6 0 1.108512 -1.108512 -1.108512 6 8 0 1.752489 1.752489 1.752489 7 8 0 -1.752489 1.752489 -1.752489 8 8 0 1.752489 -1.752489 -1.752489 9 8 0 -1.752489 -1.752489 1.752489 --------------------------------------------------------------------- Rotational constants (GHZ): 0.9890861 0.9890861 0.9890861 Standard basis: TZVP (5D, 7F) There are 50 symmetry adapted basis functions of A symmetry. There are 45 symmetry adapted basis functions of B1 symmetry. There are 45 symmetry adapted basis functions of B2 symmetry. There are 45 symmetry adapted basis functions of B3 symmetry. Integral buffers will be 262144 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 185 basis functions, 366 primitive gaussians, 196 cartesian basis functions 42 alpha electrons 42 beta electrons nuclear repulsion energy 584.3553274566 Hartrees. NAtoms= 9 NActive= 9 NUniq= 3 SFac= 3.00D+00 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 185 RedAO= T NBF= 50 45 45 45 NBsUse= 185 1.00D-06 NBFU= 50 45 45 45 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 4.68D-02 ExpMax= 3.52D+05 ExpMxC= 3.39D+03 IAcc=2 IRadAn= 0 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (A1) (T1) (T1) (T1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) The electronic state of the initial guess is 1-A1. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations SCF Done: E(RB3LYP) = -1961.93316214 A.U. after 14 cycles Convg = 0.1648D-08 -V/T = 2.0020 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (A1) (E) (E) (T2) (T2) (T2) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -299.84278 -35.77730 -31.20113 -31.20113 -31.20113 Alpha occ. eigenvalues -- -19.23077 -19.23077 -19.23077 -19.23077 -10.30333 Alpha occ. eigenvalues -- -10.30331 -10.30331 -10.30331 -4.01366 -2.60171 Alpha occ. eigenvalues -- -2.60171 -2.60171 -1.17983 -1.17968 -1.17968 Alpha occ. eigenvalues -- -1.17968 -0.59440 -0.58250 -0.58250 -0.58250 Alpha occ. eigenvalues -- -0.49653 -0.49202 -0.49202 -0.49139 -0.49139 Alpha occ. eigenvalues -- -0.49139 -0.48601 -0.48601 -0.48601 -0.44817 Alpha occ. eigenvalues -- -0.44817 -0.44817 -0.28674 -0.28674 -0.25114 Alpha occ. eigenvalues -- -0.25114 -0.25114 Alpha virt. eigenvalues -- -0.04531 -0.04531 -0.04531 -0.03398 -0.03398 Alpha virt. eigenvalues -- -0.01442 -0.01442 -0.01442 0.02477 0.10798 Alpha virt. eigenvalues -- 0.10798 0.10798 0.18844 0.19832 0.19832 Alpha virt. eigenvalues -- 0.19832 0.21558 0.21558 0.28402 0.28402 Alpha virt. eigenvalues -- 0.28402 0.29496 0.31668 0.31668 0.31668 Alpha virt. eigenvalues -- 0.32531 0.37118 0.37118 0.37118 0.45390 Alpha virt. eigenvalues -- 0.48221 0.48221 0.48221 0.51513 0.51513 Alpha virt. eigenvalues -- 0.54856 0.54856 0.54856 0.62339 0.62339 Alpha virt. eigenvalues -- 0.62339 0.67900 0.67900 0.67900 0.81728 Alpha virt. eigenvalues -- 0.81728 0.81728 0.81937 0.86791 0.90717 Alpha virt. eigenvalues -- 0.90717 1.30447 1.30447 1.30447 1.34154 Alpha virt. eigenvalues -- 1.34154 1.34154 1.37391 1.37391 1.37391 Alpha virt. eigenvalues -- 1.42765 1.42765 1.42765 1.42906 1.42906 Alpha virt. eigenvalues -- 1.43232 1.59861 1.59861 1.59861 1.60716 Alpha virt. eigenvalues -- 1.60716 1.61025 1.61025 1.61025 1.66011 Alpha virt. eigenvalues -- 1.66011 1.66011 1.73352 1.73352 1.73352 Alpha virt. eigenvalues -- 1.90338 1.90338 1.92825 1.92825 1.92825 Alpha virt. eigenvalues -- 1.97045 2.28594 2.28594 2.28594 2.34540 Alpha virt. eigenvalues -- 2.44891 2.44891 2.44891 2.56470 2.56470 Alpha virt. eigenvalues -- 2.56775 2.56775 2.56775 2.59570 2.59570 Alpha virt. eigenvalues -- 2.59570 2.59977 2.59977 2.60460 2.60460 Alpha virt. eigenvalues -- 2.60460 2.62156 2.62156 2.62156 2.80711 Alpha virt. eigenvalues -- 2.91709 2.91709 2.91709 3.10353 3.13478 Alpha virt. eigenvalues -- 3.13478 3.13478 3.25982 3.25982 3.25982 Alpha virt. eigenvalues -- 3.28162 3.28162 3.28162 3.29910 3.29910 Alpha virt. eigenvalues -- 3.64711 4.21099 4.21099 4.21103 4.21103 Alpha virt. eigenvalues -- 4.21103 4.39264 4.52280 4.52280 4.52280 Alpha virt. eigenvalues -- 21.91893 21.91893 21.91893 22.10705 43.34279 Alpha virt. eigenvalues -- 43.34279 43.34279 43.39398 Molecular Orbital Coefficients: 1 2 3 4 5 (A1)--O (A1)--O (T2)--O (T2)--O (T2)--O Eigenvalues -- -299.84278 -35.77730 -31.20113 -31.20113 -31.20113 1 1 Ni 1S 0.99768 -0.31770 0.00000 0.00000 0.00000 2 2S 0.00711 1.03726 0.00000 0.00000 0.00000 3 3S -0.00293 0.04499 0.00000 0.00000 0.00000 4 4S 0.00225 -0.01875 0.00000 0.00000 0.00000 5 5S -0.00196 0.01333 0.00000 0.00000 0.00000 6 6S -0.00036 0.00255 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.99049 8 7PY 0.00000 0.00000 0.00000 0.99049 0.00000 9 7PZ 0.00000 0.00000 0.99049 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.02573 11 8PY 0.00000 0.00000 0.00000 0.02573 0.00000 12 8PZ 0.00000 0.00000 0.02573 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.00670 14 9PY 0.00000 0.00000 0.00000 -0.00670 0.00000 15 9PZ 0.00000 0.00000 -0.00670 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00419 17 10PY 0.00000 0.00000 0.00000 0.00419 0.00000 18 10PZ 0.00000 0.00000 0.00419 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00001 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00001 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00001 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.00013 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00013 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.00013 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00026 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00026 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00026 0.00000 0.00000 34 2 C 1S 0.00000 0.00001 -0.00001 -0.00001 -0.00001 35 2S 0.00001 -0.00003 0.00003 0.00003 0.00003 36 3S -0.00003 0.00017 -0.00017 -0.00017 -0.00017 37 4S -0.00009 0.00062 -0.00002 -0.00002 -0.00002 38 5S 0.00033 -0.00231 -0.00129 -0.00129 -0.00129 39 6PX 0.00000 0.00000 0.00007 0.00007 0.00011 40 6PY 0.00000 0.00000 0.00007 0.00011 0.00007 41 6PZ 0.00000 0.00000 0.00011 0.00007 0.00007 42 7PX -0.00015 0.00095 -0.00003 -0.00003 -0.00025 43 7PY -0.00015 0.00095 -0.00003 -0.00025 -0.00003 44 7PZ -0.00015 0.00095 -0.00025 -0.00003 -0.00003 45 8PX -0.00020 0.00136 0.00086 0.00086 0.00055 46 8PY -0.00020 0.00136 0.00086 0.00055 0.00086 47 8PZ -0.00020 0.00136 0.00055 0.00086 0.00086 48 9D 0 0.00000 0.00000 0.00005 -0.00002 -0.00002 49 9D+1 -0.00001 0.00007 0.00006 0.00005 0.00006 50 9D-1 -0.00001 0.00007 0.00006 0.00006 0.00005 51 9D+2 0.00000 0.00000 0.00000 -0.00004 0.00004 52 9D-2 -0.00001 0.00007 0.00005 0.00006 0.00006 53 3 C 1S 0.00000 0.00001 -0.00001 0.00001 0.00001 54 2S 0.00001 -0.00003 0.00003 -0.00003 -0.00003 55 3S -0.00003 0.00017 -0.00017 0.00017 0.00017 56 4S -0.00009 0.00062 -0.00002 0.00002 0.00002 57 5S 0.00033 -0.00231 -0.00129 0.00129 0.00129 58 6PX 0.00000 0.00000 -0.00007 0.00007 0.00011 59 6PY 0.00000 0.00000 -0.00007 0.00011 0.00007 60 6PZ 0.00000 0.00000 0.00011 -0.00007 -0.00007 61 7PX 0.00015 -0.00095 0.00003 -0.00003 -0.00025 62 7PY 0.00015 -0.00095 0.00003 -0.00025 -0.00003 63 7PZ -0.00015 0.00095 -0.00025 0.00003 0.00003 64 8PX 0.00020 -0.00136 -0.00086 0.00086 0.00055 65 8PY 0.00020 -0.00136 -0.00086 0.00055 0.00086 66 8PZ -0.00020 0.00136 0.00055 -0.00086 -0.00086 67 9D 0 0.00000 0.00000 0.00005 0.00002 0.00002 68 9D+1 0.00001 -0.00007 -0.00006 0.00005 0.00006 69 9D-1 0.00001 -0.00007 -0.00006 0.00006 0.00005 70 9D+2 0.00000 0.00000 0.00000 0.00004 -0.00004 71 9D-2 -0.00001 0.00007 0.00005 -0.00006 -0.00006 72 4 C 1S 0.00000 0.00001 0.00001 -0.00001 0.00001 73 2S 0.00001 -0.00003 -0.00003 0.00003 -0.00003 74 3S -0.00003 0.00017 0.00017 -0.00017 0.00017 75 4S -0.00009 0.00062 0.00002 -0.00002 0.00002 76 5S 0.00033 -0.00231 0.00129 -0.00129 0.00129 77 6PX 0.00000 0.00000 0.00007 -0.00007 0.00011 78 6PY 0.00000 0.00000 -0.00007 0.00011 -0.00007 79 6PZ 0.00000 0.00000 0.00011 -0.00007 0.00007 80 7PX 0.00015 -0.00095 -0.00003 0.00003 -0.00025 81 7PY -0.00015 0.00095 0.00003 -0.00025 0.00003 82 7PZ 0.00015 -0.00095 -0.00025 0.00003 -0.00003 83 8PX 0.00020 -0.00136 0.00086 -0.00086 0.00055 84 8PY -0.00020 0.00136 -0.00086 0.00055 -0.00086 85 8PZ 0.00020 -0.00136 0.00055 -0.00086 0.00086 86 9D 0 0.00000 0.00000 -0.00005 -0.00002 0.00002 87 9D+1 -0.00001 0.00007 -0.00006 0.00005 -0.00006 88 9D-1 0.00001 -0.00007 0.00006 -0.00006 0.00005 89 9D+2 0.00000 0.00000 0.00000 -0.00004 -0.00004 90 9D-2 0.00001 -0.00007 0.00005 -0.00006 0.00006 91 5 C 1S 0.00000 0.00001 0.00001 0.00001 -0.00001 92 2S 0.00001 -0.00003 -0.00003 -0.00003 0.00003 93 3S -0.00003 0.00017 0.00017 0.00017 -0.00017 94 4S -0.00009 0.00062 0.00002 0.00002 -0.00002 95 5S 0.00033 -0.00231 0.00129 0.00129 -0.00129 96 6PX 0.00000 0.00000 -0.00007 -0.00007 0.00011 97 6PY 0.00000 0.00000 0.00007 0.00011 -0.00007 98 6PZ 0.00000 0.00000 0.00011 0.00007 -0.00007 99 7PX -0.00015 0.00095 0.00003 0.00003 -0.00025 100 7PY 0.00015 -0.00095 -0.00003 -0.00025 0.00003 101 7PZ 0.00015 -0.00095 -0.00025 -0.00003 0.00003 102 8PX -0.00020 0.00136 -0.00086 -0.00086 0.00055 103 8PY 0.00020 -0.00136 0.00086 0.00055 -0.00086 104 8PZ 0.00020 -0.00136 0.00055 0.00086 -0.00086 105 9D 0 0.00000 0.00000 -0.00005 0.00002 -0.00002 106 9D+1 0.00001 -0.00007 0.00006 0.00005 -0.00006 107 9D-1 -0.00001 0.00007 -0.00006 -0.00006 0.00005 108 9D+2 0.00000 0.00000 0.00000 0.00004 0.00004 109 9D-2 0.00001 -0.00007 0.00005 0.00006 -0.00006 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00001 0.00002 0.00002 0.00002 112 3S -0.00002 0.00015 -0.00008 -0.00008 -0.00008 113 4S 0.00009 -0.00060 0.00013 0.00013 0.00013 114 5S 0.00027 -0.00176 -0.00027 -0.00027 -0.00027 115 6PX 0.00001 -0.00006 0.00001 0.00001 0.00002 116 6PY 0.00001 -0.00006 0.00001 0.00002 0.00001 117 6PZ 0.00001 -0.00006 0.00002 0.00001 0.00001 118 7PX -0.00007 0.00044 0.00004 0.00004 -0.00002 119 7PY -0.00007 0.00044 0.00004 -0.00002 0.00004 120 7PZ -0.00007 0.00044 -0.00002 0.00004 0.00004 121 8PX 0.00001 -0.00008 -0.00027 -0.00027 0.00001 122 8PY 0.00001 -0.00008 -0.00027 0.00001 -0.00027 123 8PZ 0.00001 -0.00008 0.00001 -0.00027 -0.00027 124 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 125 9D+1 0.00001 -0.00005 -0.00001 0.00000 -0.00001 126 9D-1 0.00001 -0.00005 -0.00001 -0.00001 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00001 -0.00001 128 9D-2 0.00001 -0.00005 0.00000 -0.00001 -0.00001 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00001 -0.00002 0.00002 -0.00002 131 3S -0.00002 0.00015 0.00008 -0.00008 0.00008 132 4S 0.00009 -0.00060 -0.00013 0.00013 -0.00013 133 5S 0.00027 -0.00176 0.00027 -0.00027 0.00027 134 6PX -0.00001 0.00006 0.00001 -0.00001 0.00002 135 6PY 0.00001 -0.00006 -0.00001 0.00002 -0.00001 136 6PZ -0.00001 0.00006 0.00002 -0.00001 0.00001 137 7PX 0.00007 -0.00044 0.00004 -0.00004 -0.00002 138 7PY -0.00007 0.00044 -0.00004 -0.00002 -0.00004 139 7PZ 0.00007 -0.00044 -0.00002 -0.00004 0.00004 140 8PX -0.00001 0.00008 -0.00027 0.00027 0.00001 141 8PY 0.00001 -0.00008 0.00027 0.00001 0.00027 142 8PZ -0.00001 0.00008 0.00001 0.00027 -0.00027 143 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 144 9D+1 0.00001 -0.00005 0.00001 0.00000 0.00001 145 9D-1 -0.00001 0.00005 -0.00001 0.00001 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00001 0.00001 147 9D-2 -0.00001 0.00005 0.00000 0.00001 -0.00001 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00002 -0.00002 0.00002 150 3S -0.00002 0.00015 0.00008 0.00008 -0.00008 151 4S 0.00009 -0.00060 -0.00013 -0.00013 0.00013 152 5S 0.00027 -0.00176 0.00027 0.00027 -0.00027 153 6PX 0.00001 -0.00006 -0.00001 -0.00001 0.00002 154 6PY -0.00001 0.00006 0.00001 0.00002 -0.00001 155 6PZ -0.00001 0.00006 0.00002 0.00001 -0.00001 156 7PX -0.00007 0.00044 -0.00004 -0.00004 -0.00002 157 7PY 0.00007 -0.00044 0.00004 -0.00002 -0.00004 158 7PZ 0.00007 -0.00044 -0.00002 0.00004 -0.00004 159 8PX 0.00001 -0.00008 0.00027 0.00027 0.00001 160 8PY -0.00001 0.00008 -0.00027 0.00001 0.00027 161 8PZ -0.00001 0.00008 0.00001 -0.00027 0.00027 162 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 163 9D+1 -0.00001 0.00005 -0.00001 0.00000 0.00001 164 9D-1 0.00001 -0.00005 0.00001 0.00001 0.00000 165 9D+2 0.00000 0.00000 0.00000 -0.00001 -0.00001 166 9D-2 -0.00001 0.00005 0.00000 -0.00001 0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 -0.00001 0.00002 -0.00002 -0.00002 169 3S -0.00002 0.00015 -0.00008 0.00008 0.00008 170 4S 0.00009 -0.00060 0.00013 -0.00013 -0.00013 171 5S 0.00027 -0.00176 -0.00027 0.00027 0.00027 172 6PX -0.00001 0.00006 -0.00001 0.00001 0.00002 173 6PY -0.00001 0.00006 -0.00001 0.00002 0.00001 174 6PZ 0.00001 -0.00006 0.00002 -0.00001 -0.00001 175 7PX 0.00007 -0.00044 -0.00004 0.00004 -0.00002 176 7PY 0.00007 -0.00044 -0.00004 -0.00002 0.00004 177 7PZ -0.00007 0.00044 -0.00002 -0.00004 -0.00004 178 8PX -0.00001 0.00008 0.00027 -0.00027 0.00001 179 8PY -0.00001 0.00008 0.00027 0.00001 -0.00027 180 8PZ 0.00001 -0.00008 0.00001 0.00027 0.00027 181 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 182 9D+1 -0.00001 0.00005 0.00001 0.00000 -0.00001 183 9D-1 -0.00001 0.00005 0.00001 -0.00001 0.00000 184 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00001 185 9D-2 0.00001 -0.00005 0.00000 0.00001 0.00001 6 7 8 9 10 (A1)--O (T2)--O (T2)--O (T2)--O (A1)--O Eigenvalues -- -19.23077 -19.23077 -19.23077 -19.23077 -10.30333 1 1 Ni 1S 0.00001 0.00000 0.00000 0.00000 0.00000 2 2S 0.00003 0.00000 0.00000 0.00000 0.00003 3 3S 0.00013 0.00000 0.00000 0.00000 0.00011 4 4S -0.00043 0.00000 0.00000 0.00000 -0.00076 5 5S -0.00073 0.00000 0.00000 0.00000 0.00231 6 6S 0.00679 0.00000 0.00000 0.00000 -0.01198 7 7PX 0.00000 0.00000 0.00000 0.00001 0.00000 8 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.00006 0.00000 11 8PY 0.00000 -0.00006 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 -0.00006 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00005 0.00000 14 9PY 0.00000 0.00005 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00005 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00086 0.00000 17 10PY 0.00000 0.00086 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00086 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00004 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00004 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00004 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.00021 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 -0.00021 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.00021 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00090 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00090 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00090 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.23333 35 2S 0.00000 -0.00002 -0.00002 -0.00002 0.30438 36 3S 0.00060 0.00087 0.00087 0.00087 0.01944 37 4S -0.00081 -0.00193 -0.00193 -0.00193 -0.01393 38 5S -0.00616 -0.00230 -0.00230 -0.00230 0.00798 39 6PX 0.00013 0.00009 0.00009 0.00014 0.00091 40 6PY 0.00013 0.00014 0.00009 0.00009 0.00091 41 6PZ 0.00013 0.00009 0.00014 0.00009 0.00091 42 7PX 0.00037 0.00056 0.00056 0.00035 0.00123 43 7PY 0.00037 0.00035 0.00056 0.00056 0.00123 44 7PZ 0.00037 0.00056 0.00035 0.00056 0.00123 45 8PX -0.00126 -0.00141 -0.00141 -0.00147 -0.00101 46 8PY -0.00126 -0.00147 -0.00141 -0.00141 -0.00101 47 8PZ -0.00126 -0.00141 -0.00147 -0.00141 -0.00101 48 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 49 9D+1 0.00001 -0.00005 -0.00003 -0.00003 0.00073 50 9D-1 0.00001 -0.00003 -0.00003 -0.00005 0.00073 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00001 -0.00003 -0.00005 -0.00003 0.00073 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.23333 54 2S 0.00000 0.00002 -0.00002 0.00002 0.30438 55 3S 0.00060 -0.00087 0.00087 -0.00087 0.01944 56 4S -0.00081 0.00193 -0.00193 0.00193 -0.01393 57 5S -0.00616 0.00230 -0.00230 0.00230 0.00798 58 6PX -0.00013 0.00009 -0.00009 0.00014 -0.00091 59 6PY -0.00013 0.00014 -0.00009 0.00009 -0.00091 60 6PZ 0.00013 -0.00009 0.00014 -0.00009 0.00091 61 7PX -0.00037 0.00056 -0.00056 0.00035 -0.00123 62 7PY -0.00037 0.00035 -0.00056 0.00056 -0.00123 63 7PZ 0.00037 -0.00056 0.00035 -0.00056 0.00123 64 8PX 0.00126 -0.00141 0.00141 -0.00147 0.00101 65 8PY 0.00126 -0.00147 0.00141 -0.00141 0.00101 66 8PZ -0.00126 0.00141 -0.00147 0.00141 -0.00101 67 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 68 9D+1 -0.00001 -0.00005 0.00003 -0.00003 -0.00073 69 9D-1 -0.00001 -0.00003 0.00003 -0.00005 -0.00073 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00001 0.00003 -0.00005 0.00003 0.00073 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.23333 73 2S 0.00000 -0.00002 0.00002 0.00002 0.30438 74 3S 0.00060 0.00087 -0.00087 -0.00087 0.01944 75 4S -0.00081 -0.00193 0.00193 0.00193 -0.01393 76 5S -0.00616 -0.00230 0.00230 0.00230 0.00798 77 6PX -0.00013 -0.00009 0.00009 0.00014 -0.00091 78 6PY 0.00013 0.00014 -0.00009 -0.00009 0.00091 79 6PZ -0.00013 -0.00009 0.00014 0.00009 -0.00091 80 7PX -0.00037 -0.00056 0.00056 0.00035 -0.00123 81 7PY 0.00037 0.00035 -0.00056 -0.00056 0.00123 82 7PZ -0.00037 -0.00056 0.00035 0.00056 -0.00123 83 8PX 0.00126 0.00141 -0.00141 -0.00147 0.00101 84 8PY -0.00126 -0.00147 0.00141 0.00141 -0.00101 85 8PZ 0.00126 0.00141 -0.00147 -0.00141 0.00101 86 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 87 9D+1 0.00001 -0.00005 0.00003 0.00003 0.00073 88 9D-1 -0.00001 0.00003 -0.00003 -0.00005 -0.00073 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 -0.00001 0.00003 -0.00005 -0.00003 -0.00073 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.23333 92 2S 0.00000 0.00002 0.00002 -0.00002 0.30438 93 3S 0.00060 -0.00087 -0.00087 0.00087 0.01944 94 4S -0.00081 0.00193 0.00193 -0.00193 -0.01393 95 5S -0.00616 0.00230 0.00230 -0.00230 0.00798 96 6PX 0.00013 -0.00009 -0.00009 0.00014 0.00091 97 6PY -0.00013 0.00014 0.00009 -0.00009 -0.00091 98 6PZ -0.00013 0.00009 0.00014 -0.00009 -0.00091 99 7PX 0.00037 -0.00056 -0.00056 0.00035 0.00123 100 7PY -0.00037 0.00035 0.00056 -0.00056 -0.00123 101 7PZ -0.00037 0.00056 0.00035 -0.00056 -0.00123 102 8PX -0.00126 0.00141 0.00141 -0.00147 -0.00101 103 8PY 0.00126 -0.00147 -0.00141 0.00141 0.00101 104 8PZ 0.00126 -0.00141 -0.00147 0.00141 0.00101 105 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 106 9D+1 -0.00001 -0.00005 -0.00003 0.00003 -0.00073 107 9D-1 0.00001 0.00003 0.00003 -0.00005 0.00073 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 -0.00001 -0.00003 -0.00005 0.00003 -0.00073 110 6 O 1S 0.21750 0.21750 0.21750 0.21750 -0.00009 111 2S 0.31983 0.31984 0.31984 0.31984 -0.00023 112 3S 0.01752 0.01738 0.01738 0.01738 0.00121 113 4S -0.01244 -0.01191 -0.01191 -0.01191 -0.00382 114 5S 0.00984 0.00867 0.00867 0.00867 0.00239 115 6PX -0.00051 -0.00051 -0.00051 -0.00052 -0.00013 116 6PY -0.00051 -0.00052 -0.00051 -0.00051 -0.00013 117 6PZ -0.00051 -0.00051 -0.00052 -0.00051 -0.00013 118 7PX 0.00063 0.00057 0.00057 0.00060 0.00140 119 7PY 0.00063 0.00060 0.00057 0.00057 0.00140 120 7PZ 0.00063 0.00057 0.00060 0.00057 0.00140 121 8PX -0.00102 -0.00087 -0.00087 -0.00082 -0.00087 122 8PY -0.00102 -0.00082 -0.00087 -0.00087 -0.00087 123 8PZ -0.00102 -0.00087 -0.00082 -0.00087 -0.00087 124 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 125 9D+1 -0.00002 0.00000 -0.00001 -0.00001 -0.00041 126 9D-1 -0.00002 -0.00001 -0.00001 0.00000 -0.00041 127 9D+2 0.00000 0.00001 0.00000 -0.00001 0.00000 128 9D-2 -0.00002 -0.00001 0.00000 -0.00001 -0.00041 129 7 O 1S 0.21750 0.21750 -0.21750 -0.21750 -0.00009 130 2S 0.31983 0.31984 -0.31984 -0.31984 -0.00023 131 3S 0.01752 0.01738 -0.01738 -0.01738 0.00121 132 4S -0.01244 -0.01191 0.01191 0.01191 -0.00382 133 5S 0.00984 0.00867 -0.00867 -0.00867 0.00239 134 6PX 0.00051 0.00051 -0.00051 -0.00052 0.00013 135 6PY -0.00051 -0.00052 0.00051 0.00051 -0.00013 136 6PZ 0.00051 0.00051 -0.00052 -0.00051 0.00013 137 7PX -0.00063 -0.00057 0.00057 0.00060 -0.00140 138 7PY 0.00063 0.00060 -0.00057 -0.00057 0.00140 139 7PZ -0.00063 -0.00057 0.00060 0.00057 -0.00140 140 8PX 0.00102 0.00087 -0.00087 -0.00082 0.00087 141 8PY -0.00102 -0.00082 0.00087 0.00087 -0.00087 142 8PZ 0.00102 0.00087 -0.00082 -0.00087 0.00087 143 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 144 9D+1 -0.00002 0.00000 0.00001 0.00001 -0.00041 145 9D-1 0.00002 0.00001 -0.00001 0.00000 0.00041 146 9D+2 0.00000 0.00001 0.00000 0.00001 0.00000 147 9D-2 0.00002 0.00001 0.00000 -0.00001 0.00041 148 8 O 1S 0.21750 -0.21750 -0.21750 0.21750 -0.00009 149 2S 0.31983 -0.31984 -0.31984 0.31984 -0.00023 150 3S 0.01752 -0.01738 -0.01738 0.01738 0.00121 151 4S -0.01244 0.01191 0.01191 -0.01191 -0.00382 152 5S 0.00984 -0.00867 -0.00867 0.00867 0.00239 153 6PX -0.00051 0.00051 0.00051 -0.00052 -0.00013 154 6PY 0.00051 -0.00052 -0.00051 0.00051 0.00013 155 6PZ 0.00051 -0.00051 -0.00052 0.00051 0.00013 156 7PX 0.00063 -0.00057 -0.00057 0.00060 0.00140 157 7PY -0.00063 0.00060 0.00057 -0.00057 -0.00140 158 7PZ -0.00063 0.00057 0.00060 -0.00057 -0.00140 159 8PX -0.00102 0.00087 0.00087 -0.00082 -0.00087 160 8PY 0.00102 -0.00082 -0.00087 0.00087 0.00087 161 8PZ 0.00102 -0.00087 -0.00082 0.00087 0.00087 162 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 163 9D+1 0.00002 0.00000 -0.00001 0.00001 0.00041 164 9D-1 -0.00002 0.00001 0.00001 0.00000 -0.00041 165 9D+2 0.00000 -0.00001 0.00000 -0.00001 0.00000 166 9D-2 0.00002 -0.00001 0.00000 0.00001 0.00041 167 9 O 1S 0.21750 -0.21750 0.21750 -0.21750 -0.00009 168 2S 0.31983 -0.31984 0.31984 -0.31984 -0.00023 169 3S 0.01752 -0.01738 0.01738 -0.01738 0.00121 170 4S -0.01244 0.01191 -0.01191 0.01191 -0.00382 171 5S 0.00984 -0.00867 0.00867 -0.00867 0.00239 172 6PX 0.00051 -0.00051 0.00051 -0.00052 0.00013 173 6PY 0.00051 -0.00052 0.00051 -0.00051 0.00013 174 6PZ -0.00051 0.00051 -0.00052 0.00051 -0.00013 175 7PX -0.00063 0.00057 -0.00057 0.00060 -0.00140 176 7PY -0.00063 0.00060 -0.00057 0.00057 -0.00140 177 7PZ 0.00063 -0.00057 0.00060 -0.00057 0.00140 178 8PX 0.00102 -0.00087 0.00087 -0.00082 0.00087 179 8PY 0.00102 -0.00082 0.00087 -0.00087 0.00087 180 8PZ -0.00102 0.00087 -0.00082 0.00087 -0.00087 181 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 182 9D+1 0.00002 0.00000 0.00001 -0.00001 0.00041 183 9D-1 0.00002 -0.00001 0.00001 0.00000 0.00041 184 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00000 185 9D-2 -0.00002 0.00001 0.00000 0.00001 -0.00041 11 12 13 14 15 (T2)--O (T2)--O (T2)--O (A1)--O (T2)--O Eigenvalues -- -10.30331 -10.30331 -10.30331 -4.01366 -2.60171 1 1 Ni 1S 0.00000 0.00000 0.00000 0.11905 0.00000 2 2S 0.00000 0.00000 0.00000 -0.46510 0.00000 3 3S 0.00000 0.00000 0.00000 0.63275 0.00000 4 4S 0.00000 0.00000 0.00000 0.46937 0.00000 5 5S 0.00000 0.00000 0.00000 0.04550 0.00000 6 6S 0.00000 0.00000 0.00000 0.01044 0.00000 7 7PX 0.00001 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00001 0.00000 0.00000 9 7PZ 0.00000 0.00001 0.00000 0.00000 -0.38151 10 8PX -0.00007 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 -0.00007 0.00000 0.00000 12 8PZ 0.00000 -0.00007 0.00000 0.00000 0.87279 13 9PX 0.00036 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00036 0.00000 0.00000 15 9PZ 0.00000 0.00036 0.00000 0.00000 0.25916 16 10PX -0.00010 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 -0.00010 0.00000 0.00000 18 10PZ 0.00000 -0.00010 0.00000 0.00000 0.01994 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.00004 0.00000 0.00000 21 11D-1 -0.00004 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.00004 0.00000 0.00000 0.00068 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00026 0.00000 0.00000 26 12D-1 0.00026 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00026 0.00000 0.00000 0.00044 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00012 0.00000 0.00000 31 13D-1 0.00012 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00012 0.00000 0.00000 0.00056 34 2 C 1S 0.23332 0.23332 0.23332 -0.00014 -0.00046 35 2S 0.30446 0.30446 0.30446 -0.00037 -0.00100 36 3S 0.01879 0.01879 0.01879 0.00018 0.00138 37 4S -0.01343 -0.01343 -0.01343 0.00245 0.00067 38 5S 0.00450 0.00450 0.00450 -0.00969 -0.00486 39 6PX 0.00102 0.00097 0.00097 -0.00011 -0.00096 40 6PY 0.00097 0.00097 0.00102 -0.00011 -0.00096 41 6PZ 0.00097 0.00102 0.00097 -0.00011 -0.00049 42 7PX 0.00046 0.00062 0.00062 0.00118 -0.00093 43 7PY 0.00062 0.00062 0.00046 0.00118 -0.00093 44 7PZ 0.00062 0.00046 0.00062 0.00118 -0.00094 45 8PX -0.00315 -0.00181 -0.00181 0.00403 0.00280 46 8PY -0.00181 -0.00181 -0.00315 0.00403 0.00280 47 8PZ -0.00181 -0.00315 -0.00181 0.00403 0.00165 48 9D 0 -0.00002 0.00004 -0.00002 0.00000 -0.00032 49 9D+1 0.00075 0.00075 0.00063 0.00061 0.00044 50 9D-1 0.00063 0.00075 0.00075 0.00061 0.00044 51 9D+2 0.00003 0.00000 -0.00003 0.00000 0.00000 52 9D-2 0.00075 0.00063 0.00075 0.00061 0.00075 53 3 C 1S -0.23332 0.23332 -0.23332 -0.00014 -0.00046 54 2S -0.30446 0.30446 -0.30446 -0.00037 -0.00100 55 3S -0.01879 0.01879 -0.01879 0.00018 0.00138 56 4S 0.01343 -0.01343 0.01343 0.00245 0.00067 57 5S -0.00450 0.00450 -0.00450 -0.00969 -0.00486 58 6PX 0.00102 -0.00097 0.00097 0.00011 0.00096 59 6PY 0.00097 -0.00097 0.00102 0.00011 0.00096 60 6PZ -0.00097 0.00102 -0.00097 -0.00011 -0.00049 61 7PX 0.00046 -0.00062 0.00062 -0.00118 0.00093 62 7PY 0.00062 -0.00062 0.00046 -0.00118 0.00093 63 7PZ -0.00062 0.00046 -0.00062 0.00118 -0.00094 64 8PX -0.00315 0.00181 -0.00181 -0.00403 -0.00280 65 8PY -0.00181 0.00181 -0.00315 -0.00403 -0.00280 66 8PZ 0.00181 -0.00315 0.00181 0.00403 0.00165 67 9D 0 0.00002 0.00004 0.00002 0.00000 -0.00032 68 9D+1 0.00075 -0.00075 0.00063 -0.00061 -0.00044 69 9D-1 0.00063 -0.00075 0.00075 -0.00061 -0.00044 70 9D+2 -0.00003 0.00000 0.00003 0.00000 0.00000 71 9D-2 -0.00075 0.00063 -0.00075 0.00061 0.00075 72 4 C 1S -0.23332 -0.23332 0.23332 -0.00014 0.00046 73 2S -0.30446 -0.30446 0.30446 -0.00037 0.00100 74 3S -0.01879 -0.01879 0.01879 0.00018 -0.00138 75 4S 0.01343 0.01343 -0.01343 0.00245 -0.00067 76 5S -0.00450 -0.00450 0.00450 -0.00969 0.00486 77 6PX 0.00102 0.00097 -0.00097 0.00011 -0.00096 78 6PY -0.00097 -0.00097 0.00102 -0.00011 0.00096 79 6PZ 0.00097 0.00102 -0.00097 0.00011 -0.00049 80 7PX 0.00046 0.00062 -0.00062 -0.00118 -0.00093 81 7PY -0.00062 -0.00062 0.00046 0.00118 0.00093 82 7PZ 0.00062 0.00046 -0.00062 -0.00118 -0.00094 83 8PX -0.00315 -0.00181 0.00181 -0.00403 0.00280 84 8PY 0.00181 0.00181 -0.00315 0.00403 -0.00280 85 8PZ -0.00181 -0.00315 0.00181 -0.00403 0.00165 86 9D 0 0.00002 -0.00004 -0.00002 0.00000 0.00032 87 9D+1 -0.00075 -0.00075 0.00063 0.00061 -0.00044 88 9D-1 0.00063 0.00075 -0.00075 -0.00061 0.00044 89 9D+2 -0.00003 0.00000 -0.00003 0.00000 0.00000 90 9D-2 0.00075 0.00063 -0.00075 -0.00061 0.00075 91 5 C 1S 0.23332 -0.23332 -0.23332 -0.00014 0.00046 92 2S 0.30446 -0.30446 -0.30446 -0.00037 0.00100 93 3S 0.01879 -0.01879 -0.01879 0.00018 -0.00138 94 4S -0.01343 0.01343 0.01343 0.00245 -0.00067 95 5S 0.00450 -0.00450 -0.00450 -0.00969 0.00486 96 6PX 0.00102 -0.00097 -0.00097 -0.00011 0.00096 97 6PY -0.00097 0.00097 0.00102 0.00011 -0.00096 98 6PZ -0.00097 0.00102 0.00097 0.00011 -0.00049 99 7PX 0.00046 -0.00062 -0.00062 0.00118 0.00093 100 7PY -0.00062 0.00062 0.00046 -0.00118 -0.00093 101 7PZ -0.00062 0.00046 0.00062 -0.00118 -0.00094 102 8PX -0.00315 0.00181 0.00181 0.00403 -0.00280 103 8PY 0.00181 -0.00181 -0.00315 -0.00403 0.00280 104 8PZ 0.00181 -0.00315 -0.00181 -0.00403 0.00165 105 9D 0 -0.00002 -0.00004 0.00002 0.00000 0.00032 106 9D+1 -0.00075 0.00075 0.00063 -0.00061 0.00044 107 9D-1 0.00063 -0.00075 -0.00075 0.00061 -0.00044 108 9D+2 0.00003 0.00000 0.00003 0.00000 0.00000 109 9D-2 -0.00075 0.00063 0.00075 -0.00061 0.00075 110 6 O 1S -0.00009 -0.00009 -0.00009 0.00000 0.00001 111 2S -0.00025 -0.00025 -0.00025 0.00001 0.00004 112 3S 0.00132 0.00132 0.00132 0.00022 -0.00022 113 4S -0.00421 -0.00421 -0.00421 -0.00144 0.00031 114 5S 0.00555 0.00555 0.00555 -0.00268 -0.00036 115 6PX -0.00007 -0.00011 -0.00011 -0.00004 0.00006 116 6PY -0.00011 -0.00011 -0.00007 -0.00004 0.00006 117 6PZ -0.00011 -0.00007 -0.00011 -0.00004 0.00003 118 7PX 0.00104 0.00123 0.00123 0.00093 0.00012 119 7PY 0.00123 0.00123 0.00104 0.00093 0.00012 120 7PZ 0.00123 0.00104 0.00123 0.00093 0.00006 121 8PX -0.00052 -0.00127 -0.00127 -0.00062 -0.00080 122 8PY -0.00127 -0.00127 -0.00052 -0.00062 -0.00080 123 8PZ -0.00127 -0.00052 -0.00127 -0.00062 -0.00018 124 9D 0 0.00000 -0.00001 0.00000 0.00000 -0.00008 125 9D+1 -0.00038 -0.00038 -0.00038 -0.00017 -0.00008 126 9D-1 -0.00038 -0.00038 -0.00038 -0.00017 -0.00008 127 9D+2 -0.00001 0.00000 0.00001 0.00000 0.00000 128 9D-2 -0.00038 -0.00038 -0.00038 -0.00017 -0.00001 129 7 O 1S 0.00009 0.00009 -0.00009 0.00000 -0.00001 130 2S 0.00025 0.00025 -0.00025 0.00001 -0.00004 131 3S -0.00132 -0.00132 0.00132 0.00022 0.00022 132 4S 0.00421 0.00421 -0.00421 -0.00144 -0.00031 133 5S -0.00555 -0.00555 0.00555 -0.00268 0.00036 134 6PX -0.00007 -0.00011 0.00011 0.00004 0.00006 135 6PY 0.00011 0.00011 -0.00007 -0.00004 -0.00006 136 6PZ -0.00011 -0.00007 0.00011 0.00004 0.00003 137 7PX 0.00104 0.00123 -0.00123 -0.00093 0.00012 138 7PY -0.00123 -0.00123 0.00104 0.00093 -0.00012 139 7PZ 0.00123 0.00104 -0.00123 -0.00093 0.00006 140 8PX -0.00052 -0.00127 0.00127 0.00062 -0.00080 141 8PY 0.00127 0.00127 -0.00052 -0.00062 0.00080 142 8PZ -0.00127 -0.00052 0.00127 0.00062 -0.00018 143 9D 0 0.00000 0.00001 0.00000 0.00000 0.00008 144 9D+1 0.00038 0.00038 -0.00038 -0.00017 0.00008 145 9D-1 -0.00038 -0.00038 0.00038 0.00017 -0.00008 146 9D+2 0.00001 0.00000 0.00001 0.00000 0.00000 147 9D-2 -0.00038 -0.00038 0.00038 0.00017 -0.00001 148 8 O 1S -0.00009 0.00009 0.00009 0.00000 -0.00001 149 2S -0.00025 0.00025 0.00025 0.00001 -0.00004 150 3S 0.00132 -0.00132 -0.00132 0.00022 0.00022 151 4S -0.00421 0.00421 0.00421 -0.00144 -0.00031 152 5S 0.00555 -0.00555 -0.00555 -0.00268 0.00036 153 6PX -0.00007 0.00011 0.00011 -0.00004 -0.00006 154 6PY 0.00011 -0.00011 -0.00007 0.00004 0.00006 155 6PZ 0.00011 -0.00007 -0.00011 0.00004 0.00003 156 7PX 0.00104 -0.00123 -0.00123 0.00093 -0.00012 157 7PY -0.00123 0.00123 0.00104 -0.00093 0.00012 158 7PZ -0.00123 0.00104 0.00123 -0.00093 0.00006 159 8PX -0.00052 0.00127 0.00127 -0.00062 0.00080 160 8PY 0.00127 -0.00127 -0.00052 0.00062 -0.00080 161 8PZ 0.00127 -0.00052 -0.00127 0.00062 -0.00018 162 9D 0 0.00000 0.00001 0.00000 0.00000 0.00008 163 9D+1 0.00038 -0.00038 -0.00038 0.00017 -0.00008 164 9D-1 -0.00038 0.00038 0.00038 -0.00017 0.00008 165 9D+2 -0.00001 0.00000 -0.00001 0.00000 0.00000 166 9D-2 0.00038 -0.00038 -0.00038 0.00017 -0.00001 167 9 O 1S 0.00009 -0.00009 0.00009 0.00000 0.00001 168 2S 0.00025 -0.00025 0.00025 0.00001 0.00004 169 3S -0.00132 0.00132 -0.00132 0.00022 -0.00022 170 4S 0.00421 -0.00421 0.00421 -0.00144 0.00031 171 5S -0.00555 0.00555 -0.00555 -0.00268 -0.00036 172 6PX -0.00007 0.00011 -0.00011 0.00004 -0.00006 173 6PY -0.00011 0.00011 -0.00007 0.00004 -0.00006 174 6PZ 0.00011 -0.00007 0.00011 -0.00004 0.00003 175 7PX 0.00104 -0.00123 0.00123 -0.00093 -0.00012 176 7PY 0.00123 -0.00123 0.00104 -0.00093 -0.00012 177 7PZ -0.00123 0.00104 -0.00123 0.00093 0.00006 178 8PX -0.00052 0.00127 -0.00127 0.00062 0.00080 179 8PY -0.00127 0.00127 -0.00052 0.00062 0.00080 180 8PZ 0.00127 -0.00052 0.00127 -0.00062 -0.00018 181 9D 0 0.00000 -0.00001 0.00000 0.00000 -0.00008 182 9D+1 -0.00038 0.00038 -0.00038 0.00017 0.00008 183 9D-1 -0.00038 0.00038 -0.00038 0.00017 0.00008 184 9D+2 0.00001 0.00000 -0.00001 0.00000 0.00000 185 9D-2 0.00038 -0.00038 0.00038 -0.00017 -0.00001 16 17 18 19 20 (T2)--O (T2)--O (A1)--O (T2)--O (T2)--O Eigenvalues -- -2.60171 -2.60171 -1.17983 -1.17968 -1.17968 1 1 Ni 1S 0.00000 0.00000 -0.00062 0.00000 0.00000 2 2S 0.00000 0.00000 0.00137 0.00000 0.00000 3 3S 0.00000 0.00000 -0.00559 0.00000 0.00000 4 4S 0.00000 0.00000 0.00210 0.00000 0.00000 5 5S 0.00000 0.00000 -0.00667 0.00000 0.00000 6 6S 0.00000 0.00000 -0.00571 0.00000 0.00000 7 7PX -0.38151 0.00000 0.00000 0.00000 0.00150 8 7PY 0.00000 -0.38151 0.00000 0.00150 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.87279 0.00000 0.00000 0.00000 -0.00396 11 8PY 0.00000 0.87279 0.00000 -0.00396 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.25916 0.00000 0.00000 0.00000 0.00146 14 9PY 0.00000 0.25916 0.00000 0.00146 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.01994 0.00000 0.00000 0.00000 -0.01735 17 10PY 0.00000 0.01994 0.00000 -0.01735 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00068 0.00000 0.00082 0.00000 21 11D-1 0.00068 0.00000 0.00000 0.00000 0.00082 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00044 0.00000 0.00316 0.00000 26 12D-1 0.00044 0.00000 0.00000 0.00000 0.00316 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00056 0.00000 -0.00848 0.00000 31 13D-1 0.00056 0.00000 0.00000 0.00000 -0.00848 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00046 -0.00046 -0.02917 -0.02910 -0.02910 35 2S -0.00100 -0.00100 -0.06046 -0.06030 -0.06030 36 3S 0.00138 0.00138 0.10029 0.09939 0.09939 37 4S 0.00067 0.00067 0.04574 0.04636 0.04636 38 5S -0.00486 -0.00486 0.00670 0.00704 0.00704 39 6PX -0.00049 -0.00096 0.05069 0.05103 0.05099 40 6PY -0.00096 -0.00049 0.05069 0.05099 0.05103 41 6PZ -0.00096 -0.00096 0.05069 0.05103 0.05103 42 7PX -0.00094 -0.00093 0.01241 0.00937 0.01017 43 7PY -0.00093 -0.00094 0.01241 0.01017 0.00937 44 7PZ -0.00093 -0.00093 0.01241 0.00937 0.00937 45 8PX 0.00165 0.00280 -0.00071 -0.00341 -0.00286 46 8PY 0.00280 0.00165 -0.00071 -0.00286 -0.00341 47 8PZ 0.00280 0.00280 -0.00071 -0.00341 -0.00341 48 9D 0 0.00016 0.00016 0.00000 -0.00002 -0.00002 49 9D+1 0.00044 0.00075 0.00873 0.00895 0.00892 50 9D-1 0.00075 0.00044 0.00873 0.00892 0.00895 51 9D+2 -0.00028 0.00028 0.00000 -0.00003 0.00003 52 9D-2 0.00044 0.00044 0.00873 0.00892 0.00892 53 3 C 1S 0.00046 0.00046 -0.02917 0.02910 0.02910 54 2S 0.00100 0.00100 -0.06046 0.06030 0.06030 55 3S -0.00138 -0.00138 0.10029 -0.09939 -0.09939 56 4S -0.00067 -0.00067 0.04574 -0.04636 -0.04636 57 5S 0.00486 0.00486 0.00670 -0.00704 -0.00704 58 6PX -0.00049 -0.00096 -0.05069 0.05103 0.05099 59 6PY -0.00096 -0.00049 -0.05069 0.05099 0.05103 60 6PZ 0.00096 0.00096 0.05069 -0.05103 -0.05103 61 7PX -0.00094 -0.00093 -0.01241 0.00937 0.01017 62 7PY -0.00093 -0.00094 -0.01241 0.01017 0.00937 63 7PZ 0.00093 0.00093 0.01241 -0.00937 -0.00937 64 8PX 0.00165 0.00280 0.00071 -0.00341 -0.00286 65 8PY 0.00280 0.00165 0.00071 -0.00286 -0.00341 66 8PZ -0.00280 -0.00280 -0.00071 0.00341 0.00341 67 9D 0 -0.00016 -0.00016 0.00000 0.00002 0.00002 68 9D+1 0.00044 0.00075 -0.00873 0.00895 0.00892 69 9D-1 0.00075 0.00044 -0.00873 0.00892 0.00895 70 9D+2 0.00028 -0.00028 0.00000 0.00003 -0.00003 71 9D-2 -0.00044 -0.00044 0.00873 -0.00892 -0.00892 72 4 C 1S 0.00046 -0.00046 -0.02917 -0.02910 0.02910 73 2S 0.00100 -0.00100 -0.06046 -0.06030 0.06030 74 3S -0.00138 0.00138 0.10029 0.09939 -0.09939 75 4S -0.00067 0.00067 0.04574 0.04636 -0.04636 76 5S 0.00486 -0.00486 0.00670 0.00704 -0.00704 77 6PX -0.00049 0.00096 -0.05069 -0.05103 0.05099 78 6PY 0.00096 -0.00049 0.05069 0.05099 -0.05103 79 6PZ -0.00096 0.00096 -0.05069 -0.05103 0.05103 80 7PX -0.00094 0.00093 -0.01241 -0.00937 0.01017 81 7PY 0.00093 -0.00094 0.01241 0.01017 -0.00937 82 7PZ -0.00093 0.00093 -0.01241 -0.00937 0.00937 83 8PX 0.00165 -0.00280 0.00071 0.00341 -0.00286 84 8PY -0.00280 0.00165 -0.00071 -0.00286 0.00341 85 8PZ 0.00280 -0.00280 0.00071 0.00341 -0.00341 86 9D 0 -0.00016 0.00016 0.00000 -0.00002 0.00002 87 9D+1 -0.00044 0.00075 0.00873 0.00895 -0.00892 88 9D-1 0.00075 -0.00044 -0.00873 -0.00892 0.00895 89 9D+2 0.00028 0.00028 0.00000 -0.00003 -0.00003 90 9D-2 0.00044 -0.00044 -0.00873 -0.00892 0.00892 91 5 C 1S -0.00046 0.00046 -0.02917 0.02910 -0.02910 92 2S -0.00100 0.00100 -0.06046 0.06030 -0.06030 93 3S 0.00138 -0.00138 0.10029 -0.09939 0.09939 94 4S 0.00067 -0.00067 0.04574 -0.04636 0.04636 95 5S -0.00486 0.00486 0.00670 -0.00704 0.00704 96 6PX -0.00049 0.00096 0.05069 -0.05103 0.05099 97 6PY 0.00096 -0.00049 -0.05069 0.05099 -0.05103 98 6PZ 0.00096 -0.00096 -0.05069 0.05103 -0.05103 99 7PX -0.00094 0.00093 0.01241 -0.00937 0.01017 100 7PY 0.00093 -0.00094 -0.01241 0.01017 -0.00937 101 7PZ 0.00093 -0.00093 -0.01241 0.00937 -0.00937 102 8PX 0.00165 -0.00280 -0.00071 0.00341 -0.00286 103 8PY -0.00280 0.00165 0.00071 -0.00286 0.00341 104 8PZ -0.00280 0.00280 0.00071 -0.00341 0.00341 105 9D 0 0.00016 -0.00016 0.00000 0.00002 -0.00002 106 9D+1 -0.00044 0.00075 -0.00873 0.00895 -0.00892 107 9D-1 0.00075 -0.00044 0.00873 -0.00892 0.00895 108 9D+2 -0.00028 -0.00028 0.00000 0.00003 0.00003 109 9D-2 -0.00044 0.00044 -0.00873 0.00892 -0.00892 110 6 O 1S 0.00001 0.00001 -0.04625 -0.04628 -0.04628 111 2S 0.00004 0.00004 -0.10877 -0.10883 -0.10883 112 3S -0.00022 -0.00022 0.16109 0.16100 0.16100 113 4S 0.00031 0.00031 0.19518 0.19607 0.19607 114 5S -0.00036 -0.00036 0.05248 0.05755 0.05755 115 6PX 0.00003 0.00006 -0.04194 -0.04189 -0.04187 116 6PY 0.00006 0.00003 -0.04194 -0.04187 -0.04189 117 6PZ 0.00006 0.00006 -0.04194 -0.04189 -0.04189 118 7PX 0.00006 0.00012 -0.02679 -0.02743 -0.02744 119 7PY 0.00012 0.00006 -0.02679 -0.02744 -0.02743 120 7PZ 0.00012 0.00012 -0.02679 -0.02743 -0.02743 121 8PX -0.00018 -0.00080 -0.00179 -0.00194 -0.00242 122 8PY -0.00080 -0.00018 -0.00179 -0.00242 -0.00194 123 8PZ -0.00080 -0.00080 -0.00179 -0.00194 -0.00194 124 9D 0 0.00004 0.00004 0.00000 -0.00001 -0.00001 125 9D+1 -0.00008 -0.00001 0.00506 0.00506 0.00508 126 9D-1 -0.00001 -0.00008 0.00506 0.00508 0.00506 127 9D+2 -0.00007 0.00007 0.00000 -0.00002 0.00002 128 9D-2 -0.00008 -0.00008 0.00506 0.00508 0.00508 129 7 O 1S -0.00001 0.00001 -0.04625 -0.04628 0.04628 130 2S -0.00004 0.00004 -0.10877 -0.10883 0.10883 131 3S 0.00022 -0.00022 0.16109 0.16100 -0.16100 132 4S -0.00031 0.00031 0.19518 0.19607 -0.19607 133 5S 0.00036 -0.00036 0.05248 0.05755 -0.05755 134 6PX 0.00003 -0.00006 0.04194 0.04189 -0.04187 135 6PY -0.00006 0.00003 -0.04194 -0.04187 0.04189 136 6PZ 0.00006 -0.00006 0.04194 0.04189 -0.04189 137 7PX 0.00006 -0.00012 0.02679 0.02743 -0.02744 138 7PY -0.00012 0.00006 -0.02679 -0.02744 0.02743 139 7PZ 0.00012 -0.00012 0.02679 0.02743 -0.02743 140 8PX -0.00018 0.00080 0.00179 0.00194 -0.00242 141 8PY 0.00080 -0.00018 -0.00179 -0.00242 0.00194 142 8PZ -0.00080 0.00080 0.00179 0.00194 -0.00194 143 9D 0 -0.00004 0.00004 0.00000 -0.00001 0.00001 144 9D+1 0.00008 -0.00001 0.00506 0.00506 -0.00508 145 9D-1 -0.00001 0.00008 -0.00506 -0.00508 0.00506 146 9D+2 0.00007 0.00007 0.00000 -0.00002 -0.00002 147 9D-2 -0.00008 0.00008 -0.00506 -0.00508 0.00508 148 8 O 1S 0.00001 -0.00001 -0.04625 0.04628 -0.04628 149 2S 0.00004 -0.00004 -0.10877 0.10883 -0.10883 150 3S -0.00022 0.00022 0.16109 -0.16100 0.16100 151 4S 0.00031 -0.00031 0.19518 -0.19607 0.19607 152 5S -0.00036 0.00036 0.05248 -0.05755 0.05755 153 6PX 0.00003 -0.00006 -0.04194 0.04189 -0.04187 154 6PY -0.00006 0.00003 0.04194 -0.04187 0.04189 155 6PZ -0.00006 0.00006 0.04194 -0.04189 0.04189 156 7PX 0.00006 -0.00012 -0.02679 0.02743 -0.02744 157 7PY -0.00012 0.00006 0.02679 -0.02744 0.02743 158 7PZ -0.00012 0.00012 0.02679 -0.02743 0.02743 159 8PX -0.00018 0.00080 -0.00179 0.00194 -0.00242 160 8PY 0.00080 -0.00018 0.00179 -0.00242 0.00194 161 8PZ 0.00080 -0.00080 0.00179 -0.00194 0.00194 162 9D 0 0.00004 -0.00004 0.00000 0.00001 -0.00001 163 9D+1 0.00008 -0.00001 -0.00506 0.00506 -0.00508 164 9D-1 -0.00001 0.00008 0.00506 -0.00508 0.00506 165 9D+2 -0.00007 -0.00007 0.00000 0.00002 0.00002 166 9D-2 0.00008 -0.00008 -0.00506 0.00508 -0.00508 167 9 O 1S -0.00001 -0.00001 -0.04625 0.04628 0.04628 168 2S -0.00004 -0.00004 -0.10877 0.10883 0.10883 169 3S 0.00022 0.00022 0.16109 -0.16100 -0.16100 170 4S -0.00031 -0.00031 0.19518 -0.19607 -0.19607 171 5S 0.00036 0.00036 0.05248 -0.05755 -0.05755 172 6PX 0.00003 0.00006 0.04194 -0.04189 -0.04187 173 6PY 0.00006 0.00003 0.04194 -0.04187 -0.04189 174 6PZ -0.00006 -0.00006 -0.04194 0.04189 0.04189 175 7PX 0.00006 0.00012 0.02679 -0.02743 -0.02744 176 7PY 0.00012 0.00006 0.02679 -0.02744 -0.02743 177 7PZ -0.00012 -0.00012 -0.02679 0.02743 0.02743 178 8PX -0.00018 -0.00080 0.00179 -0.00194 -0.00242 179 8PY -0.00080 -0.00018 0.00179 -0.00242 -0.00194 180 8PZ 0.00080 0.00080 -0.00179 0.00194 0.00194 181 9D 0 -0.00004 -0.00004 0.00000 0.00001 0.00001 182 9D+1 -0.00008 -0.00001 -0.00506 0.00506 0.00508 183 9D-1 -0.00001 -0.00008 -0.00506 0.00508 0.00506 184 9D+2 0.00007 -0.00007 0.00000 0.00002 -0.00002 185 9D-2 0.00008 0.00008 0.00506 -0.00508 -0.00508 21 22 23 24 25 (T2)--O (A1)--O (T2)--O (T2)--O (T2)--O Eigenvalues -- -1.17968 -0.59440 -0.58250 -0.58250 -0.58250 1 1 Ni 1S 0.00000 -0.00961 0.00000 0.00000 0.00000 2 2S 0.00000 0.03068 0.00000 0.00000 0.00000 3 3S 0.00000 -0.07200 0.00000 0.00000 0.00000 4 4S 0.00000 -0.06081 0.00000 0.00000 0.00000 5 5S 0.00000 0.11654 0.00000 0.00000 0.00000 6 6S 0.00000 0.01615 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.01420 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.01420 0.00000 9 7PZ 0.00150 0.00000 0.00000 0.00000 -0.01420 10 8PX 0.00000 0.00000 0.03853 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.03853 0.00000 12 8PZ -0.00396 0.00000 0.00000 0.00000 0.03853 13 9PX 0.00000 0.00000 0.00152 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00152 0.00000 15 9PZ 0.00146 0.00000 0.00000 0.00000 0.00152 16 10PX 0.00000 0.00000 -0.01247 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -0.01247 0.00000 18 10PZ -0.01735 0.00000 0.00000 0.00000 -0.01247 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.03993 0.00000 21 11D-1 0.00000 0.00000 -0.03993 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00082 0.00000 0.00000 0.00000 -0.03993 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.02821 0.00000 26 12D-1 0.00000 0.00000 -0.02821 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00316 0.00000 0.00000 0.00000 -0.02821 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -0.01659 0.00000 31 13D-1 0.00000 0.00000 -0.01659 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 -0.00848 0.00000 0.00000 0.00000 -0.01659 34 2 C 1S -0.02910 -0.03854 0.03532 0.03532 0.03532 35 2S -0.06030 -0.08265 0.07585 0.07585 0.07585 36 3S 0.09939 0.14114 -0.13303 -0.13303 -0.13303 37 4S 0.04636 0.16549 -0.14101 -0.14101 -0.14101 38 5S 0.00704 0.01937 -0.02223 -0.02223 -0.02223 39 6PX 0.05103 0.00090 -0.02119 -0.01715 -0.01715 40 6PY 0.05103 0.00090 -0.01715 -0.02119 -0.01715 41 6PZ 0.05099 0.00090 -0.01715 -0.01715 -0.02119 42 7PX 0.00937 -0.00599 -0.00616 -0.00272 -0.00272 43 7PY 0.00937 -0.00599 -0.00272 -0.00616 -0.00272 44 7PZ 0.01017 -0.00599 -0.00272 -0.00272 -0.00616 45 8PX -0.00341 -0.00351 0.01169 0.01040 0.01040 46 8PY -0.00341 -0.00351 0.01040 0.01169 0.01040 47 8PZ -0.00286 -0.00351 0.01040 0.01040 0.01169 48 9D 0 0.00003 0.00000 0.00011 0.00011 -0.00021 49 9D+1 0.00892 0.00348 -0.00431 -0.00450 -0.00431 50 9D-1 0.00892 0.00348 -0.00450 -0.00431 -0.00431 51 9D+2 0.00000 0.00000 -0.00019 0.00019 0.00000 52 9D-2 0.00895 0.00348 -0.00431 -0.00431 -0.00450 53 3 C 1S -0.02910 -0.03854 -0.03532 -0.03532 0.03532 54 2S -0.06030 -0.08265 -0.07585 -0.07585 0.07585 55 3S 0.09939 0.14114 0.13303 0.13303 -0.13303 56 4S 0.04636 0.16549 0.14101 0.14101 -0.14101 57 5S 0.00704 0.01937 0.02223 0.02223 -0.02223 58 6PX -0.05103 -0.00090 -0.02119 -0.01715 0.01715 59 6PY -0.05103 -0.00090 -0.01715 -0.02119 0.01715 60 6PZ 0.05099 0.00090 0.01715 0.01715 -0.02119 61 7PX -0.00937 0.00599 -0.00616 -0.00272 0.00272 62 7PY -0.00937 0.00599 -0.00272 -0.00616 0.00272 63 7PZ 0.01017 -0.00599 0.00272 0.00272 -0.00616 64 8PX 0.00341 0.00351 0.01169 0.01040 -0.01040 65 8PY 0.00341 0.00351 0.01040 0.01169 -0.01040 66 8PZ -0.00286 -0.00351 -0.01040 -0.01040 0.01169 67 9D 0 0.00003 0.00000 -0.00011 -0.00011 -0.00021 68 9D+1 -0.00892 -0.00348 -0.00431 -0.00450 0.00431 69 9D-1 -0.00892 -0.00348 -0.00450 -0.00431 0.00431 70 9D+2 0.00000 0.00000 0.00019 -0.00019 0.00000 71 9D-2 0.00895 0.00348 0.00431 0.00431 -0.00450 72 4 C 1S 0.02910 -0.03854 -0.03532 0.03532 -0.03532 73 2S 0.06030 -0.08265 -0.07585 0.07585 -0.07585 74 3S -0.09939 0.14114 0.13303 -0.13303 0.13303 75 4S -0.04636 0.16549 0.14101 -0.14101 0.14101 76 5S -0.00704 0.01937 0.02223 -0.02223 0.02223 77 6PX 0.05103 -0.00090 -0.02119 0.01715 -0.01715 78 6PY -0.05103 0.00090 0.01715 -0.02119 0.01715 79 6PZ 0.05099 -0.00090 -0.01715 0.01715 -0.02119 80 7PX 0.00937 0.00599 -0.00616 0.00272 -0.00272 81 7PY -0.00937 -0.00599 0.00272 -0.00616 0.00272 82 7PZ 0.01017 0.00599 -0.00272 0.00272 -0.00616 83 8PX -0.00341 0.00351 0.01169 -0.01040 0.01040 84 8PY 0.00341 -0.00351 -0.01040 0.01169 -0.01040 85 8PZ -0.00286 0.00351 0.01040 -0.01040 0.01169 86 9D 0 -0.00003 0.00000 -0.00011 0.00011 0.00021 87 9D+1 -0.00892 0.00348 0.00431 -0.00450 0.00431 88 9D-1 0.00892 -0.00348 -0.00450 0.00431 -0.00431 89 9D+2 0.00000 0.00000 0.00019 0.00019 0.00000 90 9D-2 0.00895 -0.00348 -0.00431 0.00431 -0.00450 91 5 C 1S 0.02910 -0.03854 0.03532 -0.03532 -0.03532 92 2S 0.06030 -0.08265 0.07585 -0.07585 -0.07585 93 3S -0.09939 0.14114 -0.13303 0.13303 0.13303 94 4S -0.04636 0.16549 -0.14101 0.14101 0.14101 95 5S -0.00704 0.01937 -0.02223 0.02223 0.02223 96 6PX -0.05103 0.00090 -0.02119 0.01715 0.01715 97 6PY 0.05103 -0.00090 0.01715 -0.02119 -0.01715 98 6PZ 0.05099 -0.00090 0.01715 -0.01715 -0.02119 99 7PX -0.00937 -0.00599 -0.00616 0.00272 0.00272 100 7PY 0.00937 0.00599 0.00272 -0.00616 -0.00272 101 7PZ 0.01017 0.00599 0.00272 -0.00272 -0.00616 102 8PX 0.00341 -0.00351 0.01169 -0.01040 -0.01040 103 8PY -0.00341 0.00351 -0.01040 0.01169 0.01040 104 8PZ -0.00286 0.00351 -0.01040 0.01040 0.01169 105 9D 0 -0.00003 0.00000 0.00011 -0.00011 0.00021 106 9D+1 0.00892 -0.00348 0.00431 -0.00450 -0.00431 107 9D-1 -0.00892 0.00348 -0.00450 0.00431 0.00431 108 9D+2 0.00000 0.00000 -0.00019 -0.00019 0.00000 109 9D-2 0.00895 -0.00348 0.00431 -0.00431 -0.00450 110 6 O 1S -0.04628 0.02590 -0.02682 -0.02682 -0.02682 111 2S -0.10883 0.06163 -0.06374 -0.06374 -0.06374 112 3S 0.16100 -0.09345 0.09549 0.09549 0.09549 113 4S 0.19607 -0.14531 0.15507 0.15507 0.15507 114 5S 0.05755 -0.11517 0.11394 0.11394 0.11394 115 6PX -0.04189 -0.08629 0.09912 0.10291 0.10291 116 6PY -0.04189 -0.08629 0.10291 0.09912 0.10291 117 6PZ -0.04187 -0.08629 0.10291 0.10291 0.09912 118 7PX -0.02743 -0.05965 0.06897 0.07175 0.07175 119 7PY -0.02743 -0.05965 0.07175 0.06897 0.07175 120 7PZ -0.02744 -0.05965 0.07175 0.07175 0.06897 121 8PX -0.00194 -0.02617 0.02950 0.03175 0.03175 122 8PY -0.00194 -0.02617 0.03175 0.02950 0.03175 123 8PZ -0.00242 -0.02617 0.03175 0.03175 0.02950 124 9D 0 0.00003 0.00000 -0.00012 -0.00012 0.00024 125 9D+1 0.00508 0.00462 -0.00541 -0.00563 -0.00541 126 9D-1 0.00508 0.00462 -0.00563 -0.00541 -0.00541 127 9D+2 0.00000 0.00000 0.00021 -0.00021 0.00000 128 9D-2 0.00506 0.00462 -0.00541 -0.00541 -0.00563 129 7 O 1S 0.04628 0.02590 0.02682 -0.02682 0.02682 130 2S 0.10883 0.06163 0.06374 -0.06374 0.06374 131 3S -0.16100 -0.09345 -0.09549 0.09549 -0.09549 132 4S -0.19607 -0.14531 -0.15507 0.15507 -0.15507 133 5S -0.05755 -0.11517 -0.11394 0.11394 -0.11394 134 6PX -0.04189 0.08629 0.09912 -0.10291 0.10291 135 6PY 0.04189 -0.08629 -0.10291 0.09912 -0.10291 136 6PZ -0.04187 0.08629 0.10291 -0.10291 0.09912 137 7PX -0.02743 0.05965 0.06897 -0.07175 0.07175 138 7PY 0.02743 -0.05965 -0.07175 0.06897 -0.07175 139 7PZ -0.02744 0.05965 0.07175 -0.07175 0.06897 140 8PX -0.00194 0.02617 0.02950 -0.03175 0.03175 141 8PY 0.00194 -0.02617 -0.03175 0.02950 -0.03175 142 8PZ -0.00242 0.02617 0.03175 -0.03175 0.02950 143 9D 0 -0.00003 0.00000 0.00012 -0.00012 -0.00024 144 9D+1 -0.00508 0.00462 0.00541 -0.00563 0.00541 145 9D-1 0.00508 -0.00462 -0.00563 0.00541 -0.00541 146 9D+2 0.00000 0.00000 -0.00021 -0.00021 0.00000 147 9D-2 0.00506 -0.00462 -0.00541 0.00541 -0.00563 148 8 O 1S 0.04628 0.02590 -0.02682 0.02682 0.02682 149 2S 0.10883 0.06163 -0.06374 0.06374 0.06374 150 3S -0.16100 -0.09345 0.09549 -0.09549 -0.09549 151 4S -0.19607 -0.14531 0.15507 -0.15507 -0.15507 152 5S -0.05755 -0.11517 0.11394 -0.11394 -0.11394 153 6PX 0.04189 -0.08629 0.09912 -0.10291 -0.10291 154 6PY -0.04189 0.08629 -0.10291 0.09912 0.10291 155 6PZ -0.04187 0.08629 -0.10291 0.10291 0.09912 156 7PX 0.02743 -0.05965 0.06897 -0.07175 -0.07175 157 7PY -0.02743 0.05965 -0.07175 0.06897 0.07175 158 7PZ -0.02744 0.05965 -0.07175 0.07175 0.06897 159 8PX 0.00194 -0.02617 0.02950 -0.03175 -0.03175 160 8PY -0.00194 0.02617 -0.03175 0.02950 0.03175 161 8PZ -0.00242 0.02617 -0.03175 0.03175 0.02950 162 9D 0 -0.00003 0.00000 -0.00012 0.00012 -0.00024 163 9D+1 0.00508 -0.00462 0.00541 -0.00563 -0.00541 164 9D-1 -0.00508 0.00462 -0.00563 0.00541 0.00541 165 9D+2 0.00000 0.00000 0.00021 0.00021 0.00000 166 9D-2 0.00506 -0.00462 0.00541 -0.00541 -0.00563 167 9 O 1S -0.04628 0.02590 0.02682 0.02682 -0.02682 168 2S -0.10883 0.06163 0.06374 0.06374 -0.06374 169 3S 0.16100 -0.09345 -0.09549 -0.09549 0.09549 170 4S 0.19607 -0.14531 -0.15507 -0.15507 0.15507 171 5S 0.05755 -0.11517 -0.11394 -0.11394 0.11394 172 6PX 0.04189 0.08629 0.09912 0.10291 -0.10291 173 6PY 0.04189 0.08629 0.10291 0.09912 -0.10291 174 6PZ -0.04187 -0.08629 -0.10291 -0.10291 0.09912 175 7PX 0.02743 0.05965 0.06897 0.07175 -0.07175 176 7PY 0.02743 0.05965 0.07175 0.06897 -0.07175 177 7PZ -0.02744 -0.05965 -0.07175 -0.07175 0.06897 178 8PX 0.00194 0.02617 0.02950 0.03175 -0.03175 179 8PY 0.00194 0.02617 0.03175 0.02950 -0.03175 180 8PZ -0.00242 -0.02617 -0.03175 -0.03175 0.02950 181 9D 0 0.00003 0.00000 0.00012 0.00012 0.00024 182 9D+1 -0.00508 -0.00462 -0.00541 -0.00563 0.00541 183 9D-1 -0.00508 -0.00462 -0.00563 -0.00541 0.00541 184 9D+2 0.00000 0.00000 -0.00021 0.00021 0.00000 185 9D-2 0.00506 0.00462 0.00541 0.00541 -0.00563 26 27 28 29 30 (A1)--O (E)--O (E)--O (T2)--O (T2)--O Eigenvalues -- -0.49653 -0.49202 -0.49202 -0.49139 -0.49139 1 1 Ni 1S -0.01703 0.00000 0.00000 0.00000 0.00000 2 2S 0.05567 0.00000 0.00000 0.00000 0.00000 3 3S -0.12565 0.00000 0.00000 0.00000 0.00000 4 4S -0.12457 0.00000 0.00000 0.00000 0.00000 5 5S 0.28412 0.00000 0.00000 0.00000 0.00000 6 6S 0.07150 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00965 9 7PZ 0.00000 0.00000 0.00000 0.00965 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.02646 12 8PZ 0.00000 0.00000 0.00000 -0.02646 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.00010 15 9PZ 0.00000 0.00000 0.00000 -0.00010 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00591 18 10PZ 0.00000 0.00000 0.00000 0.00591 0.00000 19 11D 0 0.00000 0.05537 -0.00049 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.02297 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 -0.00049 -0.05537 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.02297 0.00000 24 12D 0 0.00000 0.03586 -0.00032 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.01390 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 -0.00032 -0.03586 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.01390 0.00000 29 13D 0 0.00000 0.02673 -0.00024 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -0.01499 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 -0.00024 -0.02673 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.01499 0.00000 34 2 C 1S -0.01670 0.00000 0.00000 -0.00137 -0.00137 35 2S -0.03579 0.00000 0.00000 -0.00274 -0.00274 36 3S 0.04716 0.00000 0.00000 0.00114 0.00114 37 4S 0.12561 0.00000 0.00000 0.01546 0.01546 38 5S 0.03285 0.00000 0.00000 0.00402 0.00402 39 6PX -0.09283 -0.05280 -0.08961 -0.05953 -0.05953 40 6PY -0.09283 -0.05120 0.09053 -0.05953 0.09539 41 6PZ -0.09283 0.10400 -0.00093 0.09539 -0.05953 42 7PX -0.05754 -0.03991 -0.06772 -0.04818 -0.04818 43 7PY -0.05754 -0.03869 0.06842 -0.04818 0.06895 44 7PZ -0.05754 0.07860 -0.00070 0.06895 -0.04818 45 8PX 0.00720 -0.01235 -0.02096 -0.01008 -0.01008 46 8PY 0.00720 -0.01198 0.02118 -0.01008 0.02835 47 8PZ 0.00720 0.02433 -0.00022 0.02835 -0.01008 48 9D 0 0.00000 0.01571 -0.00014 0.01558 -0.00779 49 9D+1 -0.00476 0.00423 -0.00748 0.00381 -0.00973 50 9D-1 -0.00476 0.00436 0.00741 0.00381 0.00381 51 9D+2 0.00000 -0.00014 -0.01571 0.00000 -0.01349 52 9D-2 -0.00476 -0.00860 0.00008 -0.00973 0.00381 53 3 C 1S -0.01670 0.00000 0.00000 -0.00137 0.00137 54 2S -0.03579 0.00000 0.00000 -0.00274 0.00274 55 3S 0.04716 0.00000 0.00000 0.00114 -0.00114 56 4S 0.12561 0.00000 0.00000 0.01546 -0.01546 57 5S 0.03285 0.00000 0.00000 0.00402 -0.00402 58 6PX 0.09283 0.05280 0.08961 0.05953 -0.05953 59 6PY 0.09283 0.05120 -0.09053 0.05953 0.09539 60 6PZ -0.09283 0.10400 -0.00093 0.09539 0.05953 61 7PX 0.05754 0.03991 0.06772 0.04818 -0.04818 62 7PY 0.05754 0.03869 -0.06842 0.04818 0.06895 63 7PZ -0.05754 0.07860 -0.00070 0.06895 0.04818 64 8PX -0.00720 0.01235 0.02096 0.01008 -0.01008 65 8PY -0.00720 0.01198 -0.02118 0.01008 0.02835 66 8PZ 0.00720 0.02433 -0.00022 0.02835 0.01008 67 9D 0 0.00000 0.01571 -0.00014 0.01558 0.00779 68 9D+1 0.00476 -0.00423 0.00748 -0.00381 -0.00973 69 9D-1 0.00476 -0.00436 -0.00741 -0.00381 0.00381 70 9D+2 0.00000 -0.00014 -0.01571 0.00000 0.01349 71 9D-2 -0.00476 -0.00860 0.00008 -0.00973 -0.00381 72 4 C 1S -0.01670 0.00000 0.00000 0.00137 -0.00137 73 2S -0.03579 0.00000 0.00000 0.00274 -0.00274 74 3S 0.04716 0.00000 0.00000 -0.00114 0.00114 75 4S 0.12561 0.00000 0.00000 -0.01546 0.01546 76 5S 0.03285 0.00000 0.00000 -0.00402 0.00402 77 6PX 0.09283 0.05280 0.08961 -0.05953 0.05953 78 6PY -0.09283 -0.05120 0.09053 0.05953 0.09539 79 6PZ 0.09283 -0.10400 0.00093 0.09539 0.05953 80 7PX 0.05754 0.03991 0.06772 -0.04818 0.04818 81 7PY -0.05754 -0.03869 0.06842 0.04818 0.06895 82 7PZ 0.05754 -0.07860 0.00070 0.06895 0.04818 83 8PX -0.00720 0.01235 0.02096 -0.01008 0.01008 84 8PY 0.00720 -0.01198 0.02118 0.01008 0.02835 85 8PZ -0.00720 -0.02433 0.00022 0.02835 0.01008 86 9D 0 0.00000 0.01571 -0.00014 -0.01558 -0.00779 87 9D+1 -0.00476 0.00423 -0.00748 -0.00381 -0.00973 88 9D-1 0.00476 -0.00436 -0.00741 0.00381 -0.00381 89 9D+2 0.00000 -0.00014 -0.01571 0.00000 -0.01349 90 9D-2 0.00476 0.00860 -0.00008 -0.00973 -0.00381 91 5 C 1S -0.01670 0.00000 0.00000 0.00137 0.00137 92 2S -0.03579 0.00000 0.00000 0.00274 0.00274 93 3S 0.04716 0.00000 0.00000 -0.00114 -0.00114 94 4S 0.12561 0.00000 0.00000 -0.01546 -0.01546 95 5S 0.03285 0.00000 0.00000 -0.00402 -0.00402 96 6PX -0.09283 -0.05280 -0.08961 0.05953 0.05953 97 6PY 0.09283 0.05120 -0.09053 -0.05953 0.09539 98 6PZ 0.09283 -0.10400 0.00093 0.09539 -0.05953 99 7PX -0.05754 -0.03991 -0.06772 0.04818 0.04818 100 7PY 0.05754 0.03869 -0.06842 -0.04818 0.06895 101 7PZ 0.05754 -0.07860 0.00070 0.06895 -0.04818 102 8PX 0.00720 -0.01235 -0.02096 0.01008 0.01008 103 8PY -0.00720 0.01198 -0.02118 -0.01008 0.02835 104 8PZ -0.00720 -0.02433 0.00022 0.02835 -0.01008 105 9D 0 0.00000 0.01571 -0.00014 -0.01558 0.00779 106 9D+1 0.00476 -0.00423 0.00748 0.00381 -0.00973 107 9D-1 -0.00476 0.00436 0.00741 -0.00381 -0.00381 108 9D+2 0.00000 -0.00014 -0.01571 0.00000 0.01349 109 9D-2 0.00476 0.00860 -0.00008 -0.00973 0.00381 110 6 O 1S -0.00665 0.00000 0.00000 -0.00054 -0.00054 111 2S -0.01550 0.00000 0.00000 -0.00120 -0.00120 112 3S 0.01850 0.00000 0.00000 0.00052 0.00052 113 4S 0.05152 0.00000 0.00000 0.00828 0.00828 114 5S 0.03467 0.00000 0.00000 0.00111 0.00111 115 6PX 0.08467 -0.08283 -0.14055 -0.07372 -0.07372 116 6PY 0.08467 -0.08031 0.14201 -0.07372 0.17147 117 6PZ 0.08467 0.16313 -0.00146 0.17147 -0.07372 118 7PX 0.05932 -0.06836 -0.11601 -0.06295 -0.06295 119 7PY 0.05932 -0.06628 0.11721 -0.06295 0.13983 120 7PZ 0.05932 0.13465 -0.00120 0.13983 -0.06295 121 8PX 0.02810 -0.03448 -0.05851 -0.03126 -0.03126 122 8PY 0.02810 -0.03343 0.05912 -0.03126 0.06980 123 8PZ 0.02810 0.06791 -0.00061 0.06980 -0.03126 124 9D 0 0.00000 -0.01204 0.00011 -0.01204 0.00602 125 9D+1 -0.00457 -0.00343 0.00606 -0.00378 0.00664 126 9D-1 -0.00457 -0.00353 -0.00600 -0.00378 -0.00378 127 9D+2 0.00000 0.00011 0.01204 0.00000 0.01042 128 9D-2 -0.00457 0.00696 -0.00006 0.00664 -0.00378 129 7 O 1S -0.00665 0.00000 0.00000 0.00054 -0.00054 130 2S -0.01550 0.00000 0.00000 0.00120 -0.00120 131 3S 0.01850 0.00000 0.00000 -0.00052 0.00052 132 4S 0.05152 0.00000 0.00000 -0.00828 0.00828 133 5S 0.03467 0.00000 0.00000 -0.00111 0.00111 134 6PX -0.08467 0.08283 0.14055 -0.07372 0.07372 135 6PY 0.08467 -0.08031 0.14201 0.07372 0.17147 136 6PZ -0.08467 -0.16313 0.00146 0.17147 0.07372 137 7PX -0.05932 0.06836 0.11601 -0.06295 0.06295 138 7PY 0.05932 -0.06628 0.11721 0.06295 0.13983 139 7PZ -0.05932 -0.13465 0.00120 0.13983 0.06295 140 8PX -0.02810 0.03448 0.05851 -0.03126 0.03126 141 8PY 0.02810 -0.03343 0.05912 0.03126 0.06980 142 8PZ -0.02810 -0.06791 0.00061 0.06980 0.03126 143 9D 0 0.00000 -0.01204 0.00011 0.01204 0.00602 144 9D+1 -0.00457 -0.00343 0.00606 0.00378 0.00664 145 9D-1 0.00457 0.00353 0.00600 -0.00378 0.00378 146 9D+2 0.00000 0.00011 0.01204 0.00000 0.01042 147 9D-2 0.00457 -0.00696 0.00006 0.00664 0.00378 148 8 O 1S -0.00665 0.00000 0.00000 0.00054 0.00054 149 2S -0.01550 0.00000 0.00000 0.00120 0.00120 150 3S 0.01850 0.00000 0.00000 -0.00052 -0.00052 151 4S 0.05152 0.00000 0.00000 -0.00828 -0.00828 152 5S 0.03467 0.00000 0.00000 -0.00111 -0.00111 153 6PX 0.08467 -0.08283 -0.14055 0.07372 0.07372 154 6PY -0.08467 0.08031 -0.14201 -0.07372 0.17147 155 6PZ -0.08467 -0.16313 0.00146 0.17147 -0.07372 156 7PX 0.05932 -0.06836 -0.11601 0.06295 0.06295 157 7PY -0.05932 0.06628 -0.11721 -0.06295 0.13983 158 7PZ -0.05932 -0.13465 0.00120 0.13983 -0.06295 159 8PX 0.02810 -0.03448 -0.05851 0.03126 0.03126 160 8PY -0.02810 0.03343 -0.05912 -0.03126 0.06980 161 8PZ -0.02810 -0.06791 0.00061 0.06980 -0.03126 162 9D 0 0.00000 -0.01204 0.00011 0.01204 -0.00602 163 9D+1 0.00457 0.00343 -0.00606 -0.00378 0.00664 164 9D-1 -0.00457 -0.00353 -0.00600 0.00378 0.00378 165 9D+2 0.00000 0.00011 0.01204 0.00000 -0.01042 166 9D-2 0.00457 -0.00696 0.00006 0.00664 -0.00378 167 9 O 1S -0.00665 0.00000 0.00000 -0.00054 0.00054 168 2S -0.01550 0.00000 0.00000 -0.00120 0.00120 169 3S 0.01850 0.00000 0.00000 0.00052 -0.00052 170 4S 0.05152 0.00000 0.00000 0.00828 -0.00828 171 5S 0.03467 0.00000 0.00000 0.00111 -0.00111 172 6PX -0.08467 0.08283 0.14055 0.07372 -0.07372 173 6PY -0.08467 0.08031 -0.14201 0.07372 0.17147 174 6PZ 0.08467 0.16313 -0.00146 0.17147 0.07372 175 7PX -0.05932 0.06836 0.11601 0.06295 -0.06295 176 7PY -0.05932 0.06628 -0.11721 0.06295 0.13983 177 7PZ 0.05932 0.13465 -0.00120 0.13983 0.06295 178 8PX -0.02810 0.03448 0.05851 0.03126 -0.03126 179 8PY -0.02810 0.03343 -0.05912 0.03126 0.06980 180 8PZ 0.02810 0.06791 -0.00061 0.06980 0.03126 181 9D 0 0.00000 -0.01204 0.00011 -0.01204 -0.00602 182 9D+1 0.00457 0.00343 -0.00606 0.00378 0.00664 183 9D-1 0.00457 0.00353 0.00600 0.00378 -0.00378 184 9D+2 0.00000 0.00011 0.01204 0.00000 -0.01042 185 9D-2 -0.00457 0.00696 -0.00006 0.00664 0.00378 31 32 33 34 35 (T2)--O (T1)--O (T1)--O (T1)--O (T2)--O Eigenvalues -- -0.49139 -0.48601 -0.48601 -0.48601 -0.44817 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00965 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.03911 10 8PX -0.02646 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 -0.10664 13 9PX -0.00010 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.01021 16 10PX 0.00591 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.11836 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 -0.02297 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.20754 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 -0.01390 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.13218 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 -0.01499 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.11400 34 2 C 1S -0.00137 0.00000 0.00000 0.00000 -0.02747 35 2S -0.00274 0.00000 0.00000 0.00000 -0.05933 36 3S 0.00114 0.00000 0.00000 0.00000 0.09240 37 4S 0.01546 0.00000 0.00000 0.00000 0.17284 38 5S 0.00402 0.00000 0.00000 0.00000 0.08083 39 6PX 0.09539 0.08837 0.08837 0.00000 -0.09180 40 6PY -0.05953 0.00000 -0.08837 0.08837 -0.09180 41 6PZ -0.05953 -0.08837 0.00000 -0.08837 -0.10207 42 7PX 0.06895 0.06488 0.06488 0.00000 -0.05211 43 7PY -0.04818 0.00000 -0.06488 0.06488 -0.05211 44 7PZ -0.04818 -0.06488 0.00000 -0.06488 -0.06124 45 8PX 0.02835 0.02042 0.02042 0.00000 0.00515 46 8PY -0.01008 0.00000 -0.02042 0.02042 0.00515 47 8PZ -0.01008 -0.02042 0.00000 -0.02042 -0.00613 48 9D 0 -0.00779 -0.01451 0.00000 -0.01451 -0.00086 49 9D+1 0.00381 0.00000 0.00853 -0.00853 -0.00477 50 9D-1 -0.00973 -0.00853 -0.00853 0.00000 -0.00477 51 9D+2 0.01349 0.00838 0.01676 -0.00838 0.00000 52 9D-2 0.00381 0.00853 0.00000 0.00853 -0.00243 53 3 C 1S 0.00137 0.00000 0.00000 0.00000 -0.02747 54 2S 0.00274 0.00000 0.00000 0.00000 -0.05933 55 3S -0.00114 0.00000 0.00000 0.00000 0.09240 56 4S -0.01546 0.00000 0.00000 0.00000 0.17284 57 5S -0.00402 0.00000 0.00000 0.00000 0.08083 58 6PX 0.09539 0.08837 -0.08837 0.00000 0.09180 59 6PY -0.05953 0.00000 0.08837 0.08837 0.09180 60 6PZ 0.05953 0.08837 0.00000 0.08837 -0.10207 61 7PX 0.06895 0.06488 -0.06488 0.00000 0.05211 62 7PY -0.04818 0.00000 0.06488 0.06488 0.05211 63 7PZ 0.04818 0.06488 0.00000 0.06488 -0.06124 64 8PX 0.02835 0.02042 -0.02042 0.00000 -0.00515 65 8PY -0.01008 0.00000 0.02042 0.02042 -0.00515 66 8PZ 0.01008 0.02042 0.00000 0.02042 -0.00613 67 9D 0 0.00779 0.01451 0.00000 0.01451 -0.00086 68 9D+1 0.00381 0.00000 -0.00853 -0.00853 0.00477 69 9D-1 -0.00973 -0.00853 0.00853 0.00000 0.00477 70 9D+2 -0.01349 -0.00838 0.01676 0.00838 0.00000 71 9D-2 -0.00381 -0.00853 0.00000 -0.00853 -0.00243 72 4 C 1S 0.00137 0.00000 0.00000 0.00000 0.02747 73 2S 0.00274 0.00000 0.00000 0.00000 0.05933 74 3S -0.00114 0.00000 0.00000 0.00000 -0.09240 75 4S -0.01546 0.00000 0.00000 0.00000 -0.17284 76 5S -0.00402 0.00000 0.00000 0.00000 -0.08083 77 6PX 0.09539 -0.08837 0.08837 0.00000 -0.09180 78 6PY 0.05953 0.00000 0.08837 -0.08837 0.09180 79 6PZ -0.05953 0.08837 0.00000 -0.08837 -0.10207 80 7PX 0.06895 -0.06488 0.06488 0.00000 -0.05211 81 7PY 0.04818 0.00000 0.06488 -0.06488 0.05211 82 7PZ -0.04818 0.06488 0.00000 -0.06488 -0.06124 83 8PX 0.02835 -0.02042 0.02042 0.00000 0.00515 84 8PY 0.01008 0.00000 0.02042 -0.02042 -0.00515 85 8PZ -0.01008 0.02042 0.00000 -0.02042 -0.00613 86 9D 0 0.00779 -0.01451 0.00000 0.01451 0.00086 87 9D+1 -0.00381 0.00000 -0.00853 0.00853 0.00477 88 9D-1 -0.00973 0.00853 -0.00853 0.00000 -0.00477 89 9D+2 -0.01349 0.00838 -0.01676 0.00838 0.00000 90 9D-2 0.00381 -0.00853 0.00000 0.00853 -0.00243 91 5 C 1S -0.00137 0.00000 0.00000 0.00000 0.02747 92 2S -0.00274 0.00000 0.00000 0.00000 0.05933 93 3S 0.00114 0.00000 0.00000 0.00000 -0.09240 94 4S 0.01546 0.00000 0.00000 0.00000 -0.17284 95 5S 0.00402 0.00000 0.00000 0.00000 -0.08083 96 6PX 0.09539 -0.08837 -0.08837 0.00000 0.09180 97 6PY 0.05953 0.00000 -0.08837 -0.08837 -0.09180 98 6PZ 0.05953 -0.08837 0.00000 0.08837 -0.10207 99 7PX 0.06895 -0.06488 -0.06488 0.00000 0.05211 100 7PY 0.04818 0.00000 -0.06488 -0.06488 -0.05211 101 7PZ 0.04818 -0.06488 0.00000 0.06488 -0.06124 102 8PX 0.02835 -0.02042 -0.02042 0.00000 -0.00515 103 8PY 0.01008 0.00000 -0.02042 -0.02042 0.00515 104 8PZ 0.01008 -0.02042 0.00000 0.02042 -0.00613 105 9D 0 -0.00779 0.01451 0.00000 -0.01451 0.00086 106 9D+1 -0.00381 0.00000 0.00853 0.00853 -0.00477 107 9D-1 -0.00973 0.00853 0.00853 0.00000 0.00477 108 9D+2 0.01349 -0.00838 -0.01676 -0.00838 0.00000 109 9D-2 -0.00381 0.00853 0.00000 -0.00853 -0.00243 110 6 O 1S -0.00054 0.00000 0.00000 0.00000 -0.00074 111 2S -0.00120 0.00000 0.00000 0.00000 -0.00144 112 3S 0.00052 0.00000 0.00000 0.00000 -0.00249 113 4S 0.00828 0.00000 0.00000 0.00000 0.01387 114 5S 0.00111 0.00000 0.00000 0.00000 -0.00107 115 6PX 0.17147 0.14607 0.14607 0.00000 0.07146 116 6PY -0.07372 0.00000 -0.14607 0.14607 0.07146 117 6PZ -0.07372 -0.14607 0.00000 -0.14607 0.05044 118 7PX 0.13983 0.12099 0.12099 0.00000 0.05270 119 7PY -0.06295 0.00000 -0.12099 0.12099 0.05270 120 7PZ -0.06295 -0.12099 0.00000 -0.12099 0.03415 121 8PX 0.06980 0.06201 0.06201 0.00000 0.02617 122 8PY -0.03126 0.00000 -0.06201 0.06201 0.02617 123 8PZ -0.03126 -0.06201 0.00000 -0.06201 0.02190 124 9D 0 0.00602 0.01057 0.00000 0.01057 0.00086 125 9D+1 -0.00378 0.00000 -0.00610 0.00610 -0.00332 126 9D-1 0.00664 0.00610 0.00610 0.00000 -0.00332 127 9D+2 -0.01042 -0.00610 -0.01221 0.00610 0.00000 128 9D-2 -0.00378 -0.00610 0.00000 -0.00610 -0.00406 129 7 O 1S 0.00054 0.00000 0.00000 0.00000 0.00074 130 2S 0.00120 0.00000 0.00000 0.00000 0.00144 131 3S -0.00052 0.00000 0.00000 0.00000 0.00249 132 4S -0.00828 0.00000 0.00000 0.00000 -0.01387 133 5S -0.00111 0.00000 0.00000 0.00000 0.00107 134 6PX 0.17147 -0.14607 0.14607 0.00000 0.07146 135 6PY 0.07372 0.00000 0.14607 -0.14607 -0.07146 136 6PZ -0.07372 0.14607 0.00000 -0.14607 0.05044 137 7PX 0.13983 -0.12099 0.12099 0.00000 0.05270 138 7PY 0.06295 0.00000 0.12099 -0.12099 -0.05270 139 7PZ -0.06295 0.12099 0.00000 -0.12099 0.03415 140 8PX 0.06980 -0.06201 0.06201 0.00000 0.02617 141 8PY 0.03126 0.00000 0.06201 -0.06201 -0.02617 142 8PZ -0.03126 0.06201 0.00000 -0.06201 0.02190 143 9D 0 -0.00602 0.01057 0.00000 -0.01057 -0.00086 144 9D+1 0.00378 0.00000 0.00610 -0.00610 0.00332 145 9D-1 0.00664 -0.00610 0.00610 0.00000 -0.00332 146 9D+2 0.01042 -0.00610 0.01221 -0.00610 0.00000 147 9D-2 -0.00378 0.00610 0.00000 -0.00610 -0.00406 148 8 O 1S -0.00054 0.00000 0.00000 0.00000 0.00074 149 2S -0.00120 0.00000 0.00000 0.00000 0.00144 150 3S 0.00052 0.00000 0.00000 0.00000 0.00249 151 4S 0.00828 0.00000 0.00000 0.00000 -0.01387 152 5S 0.00111 0.00000 0.00000 0.00000 0.00107 153 6PX 0.17147 -0.14607 -0.14607 0.00000 -0.07146 154 6PY 0.07372 0.00000 -0.14607 -0.14607 0.07146 155 6PZ 0.07372 -0.14607 0.00000 0.14607 0.05044 156 7PX 0.13983 -0.12099 -0.12099 0.00000 -0.05270 157 7PY 0.06295 0.00000 -0.12099 -0.12099 0.05270 158 7PZ 0.06295 -0.12099 0.00000 0.12099 0.03415 159 8PX 0.06980 -0.06201 -0.06201 0.00000 -0.02617 160 8PY 0.03126 0.00000 -0.06201 -0.06201 0.02617 161 8PZ 0.03126 -0.06201 0.00000 0.06201 0.02190 162 9D 0 0.00602 -0.01057 0.00000 0.01057 -0.00086 163 9D+1 0.00378 0.00000 -0.00610 -0.00610 -0.00332 164 9D-1 0.00664 -0.00610 -0.00610 0.00000 0.00332 165 9D+2 -0.01042 0.00610 0.01221 0.00610 0.00000 166 9D-2 0.00378 -0.00610 0.00000 0.00610 -0.00406 167 9 O 1S 0.00054 0.00000 0.00000 0.00000 -0.00074 168 2S 0.00120 0.00000 0.00000 0.00000 -0.00144 169 3S -0.00052 0.00000 0.00000 0.00000 -0.00249 170 4S -0.00828 0.00000 0.00000 0.00000 0.01387 171 5S -0.00111 0.00000 0.00000 0.00000 -0.00107 172 6PX 0.17147 0.14607 -0.14607 0.00000 -0.07146 173 6PY -0.07372 0.00000 0.14607 0.14607 -0.07146 174 6PZ 0.07372 0.14607 0.00000 0.14607 0.05044 175 7PX 0.13983 0.12099 -0.12099 0.00000 -0.05270 176 7PY -0.06295 0.00000 0.12099 0.12099 -0.05270 177 7PZ 0.06295 0.12099 0.00000 0.12099 0.03415 178 8PX 0.06980 0.06201 -0.06201 0.00000 -0.02617 179 8PY -0.03126 0.00000 0.06201 0.06201 -0.02617 180 8PZ 0.03126 0.06201 0.00000 0.06201 0.02190 181 9D 0 -0.00602 -0.01057 0.00000 -0.01057 0.00086 182 9D+1 -0.00378 0.00000 0.00610 0.00610 0.00332 183 9D-1 0.00664 0.00610 -0.00610 0.00000 0.00332 184 9D+2 0.01042 0.00610 -0.01221 -0.00610 0.00000 185 9D-2 0.00378 0.00610 0.00000 0.00610 -0.00406 36 37 38 39 40 (T2)--O (T2)--O (E)--O (E)--O (T2)--O Eigenvalues -- -0.44817 -0.44817 -0.28674 -0.28674 -0.25114 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.03911 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.03911 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.03065 10 8PX -0.10664 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 -0.10664 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.08401 13 9PX -0.01021 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 -0.01021 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.01568 16 10PX 0.11836 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.11836 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.18420 19 11D 0 0.00000 0.00000 -0.05915 0.55707 0.00000 20 11D+1 0.00000 0.20754 0.00000 0.00000 0.00000 21 11D-1 0.20754 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.55707 0.05915 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.51035 24 12D 0 0.00000 0.00000 -0.03631 0.34197 0.00000 25 12D+1 0.00000 0.13218 0.00000 0.00000 0.00000 26 12D-1 0.13218 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.34197 0.03631 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.31480 29 13D 0 0.00000 0.00000 -0.02905 0.27363 0.00000 30 13D+1 0.00000 0.11400 0.00000 0.00000 0.00000 31 13D-1 0.11400 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.27363 0.02905 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.23481 34 2 C 1S -0.02747 -0.02747 0.00000 0.00000 0.01106 35 2S -0.05933 -0.05933 0.00000 0.00000 0.02406 36 3S 0.09240 0.09240 0.00000 0.00000 -0.03618 37 4S 0.17284 0.17284 0.00000 0.00000 -0.07535 38 5S 0.08083 0.08083 0.00000 0.00000 -0.06618 39 6PX -0.10207 -0.09180 0.02454 -0.01089 0.04419 40 6PY -0.09180 -0.10207 -0.02171 -0.01581 0.04419 41 6PZ -0.09180 -0.09180 -0.00283 0.02670 -0.00718 42 7PX -0.06124 -0.05211 0.03029 -0.01345 0.03058 43 7PY -0.05211 -0.06124 -0.02679 -0.01951 0.03058 44 7PZ -0.05211 -0.05211 -0.00350 0.03295 -0.02168 45 8PX -0.00613 0.00515 0.04164 -0.01849 0.00851 46 8PY 0.00515 -0.00613 -0.03683 -0.02682 0.00851 47 8PZ 0.00515 0.00515 -0.00481 0.04531 -0.07201 48 9D 0 0.00043 0.00043 0.00102 -0.00963 0.01086 49 9D+1 -0.00477 -0.00243 -0.00616 -0.00449 0.00780 50 9D-1 -0.00243 -0.00477 0.00697 -0.00309 0.00780 51 9D+2 -0.00074 0.00074 -0.00963 -0.00102 0.00000 52 9D-2 -0.00477 -0.00477 -0.00080 0.00758 0.00086 53 3 C 1S 0.02747 0.02747 0.00000 0.00000 0.01106 54 2S 0.05933 0.05933 0.00000 0.00000 0.02406 55 3S -0.09240 -0.09240 0.00000 0.00000 -0.03618 56 4S -0.17284 -0.17284 0.00000 0.00000 -0.07535 57 5S -0.08083 -0.08083 0.00000 0.00000 -0.06618 58 6PX -0.10207 -0.09180 -0.02454 0.01089 -0.04419 59 6PY -0.09180 -0.10207 0.02171 0.01581 -0.04419 60 6PZ 0.09180 0.09180 -0.00283 0.02670 -0.00718 61 7PX -0.06124 -0.05211 -0.03029 0.01345 -0.03058 62 7PY -0.05211 -0.06124 0.02679 0.01951 -0.03058 63 7PZ 0.05211 0.05211 -0.00350 0.03295 -0.02168 64 8PX -0.00613 0.00515 -0.04164 0.01849 -0.00851 65 8PY 0.00515 -0.00613 0.03683 0.02682 -0.00851 66 8PZ -0.00515 -0.00515 -0.00481 0.04531 -0.07201 67 9D 0 -0.00043 -0.00043 0.00102 -0.00963 0.01086 68 9D+1 -0.00477 -0.00243 0.00616 0.00449 -0.00780 69 9D-1 -0.00243 -0.00477 -0.00697 0.00309 -0.00780 70 9D+2 0.00074 -0.00074 -0.00963 -0.00102 0.00000 71 9D-2 0.00477 0.00477 -0.00080 0.00758 0.00086 72 4 C 1S 0.02747 -0.02747 0.00000 0.00000 -0.01106 73 2S 0.05933 -0.05933 0.00000 0.00000 -0.02406 74 3S -0.09240 0.09240 0.00000 0.00000 0.03618 75 4S -0.17284 0.17284 0.00000 0.00000 0.07535 76 5S -0.08083 0.08083 0.00000 0.00000 0.06618 77 6PX -0.10207 0.09180 -0.02454 0.01089 0.04419 78 6PY 0.09180 -0.10207 -0.02171 -0.01581 -0.04419 79 6PZ -0.09180 0.09180 0.00283 -0.02670 -0.00718 80 7PX -0.06124 0.05211 -0.03029 0.01345 0.03058 81 7PY 0.05211 -0.06124 -0.02679 -0.01951 -0.03058 82 7PZ -0.05211 0.05211 0.00350 -0.03295 -0.02168 83 8PX -0.00613 -0.00515 -0.04164 0.01849 0.00851 84 8PY -0.00515 -0.00613 -0.03683 -0.02682 -0.00851 85 8PZ 0.00515 -0.00515 0.00481 -0.04531 -0.07201 86 9D 0 -0.00043 0.00043 0.00102 -0.00963 -0.01086 87 9D+1 0.00477 -0.00243 -0.00616 -0.00449 -0.00780 88 9D-1 -0.00243 0.00477 -0.00697 0.00309 0.00780 89 9D+2 0.00074 0.00074 -0.00963 -0.00102 0.00000 90 9D-2 -0.00477 0.00477 0.00080 -0.00758 0.00086 91 5 C 1S -0.02747 0.02747 0.00000 0.00000 -0.01106 92 2S -0.05933 0.05933 0.00000 0.00000 -0.02406 93 3S 0.09240 -0.09240 0.00000 0.00000 0.03618 94 4S 0.17284 -0.17284 0.00000 0.00000 0.07535 95 5S 0.08083 -0.08083 0.00000 0.00000 0.06618 96 6PX -0.10207 0.09180 0.02454 -0.01089 -0.04419 97 6PY 0.09180 -0.10207 0.02171 0.01581 0.04419 98 6PZ 0.09180 -0.09180 0.00283 -0.02670 -0.00718 99 7PX -0.06124 0.05211 0.03029 -0.01345 -0.03058 100 7PY 0.05211 -0.06124 0.02679 0.01951 0.03058 101 7PZ 0.05211 -0.05211 0.00350 -0.03295 -0.02168 102 8PX -0.00613 -0.00515 0.04164 -0.01849 -0.00851 103 8PY -0.00515 -0.00613 0.03683 0.02682 0.00851 104 8PZ -0.00515 0.00515 0.00481 -0.04531 -0.07201 105 9D 0 0.00043 -0.00043 0.00102 -0.00963 -0.01086 106 9D+1 0.00477 -0.00243 0.00616 0.00449 0.00780 107 9D-1 -0.00243 0.00477 0.00697 -0.00309 -0.00780 108 9D+2 -0.00074 -0.00074 -0.00963 -0.00102 0.00000 109 9D-2 0.00477 -0.00477 0.00080 -0.00758 0.00086 110 6 O 1S -0.00074 -0.00074 0.00000 0.00000 -0.00302 111 2S -0.00144 -0.00144 0.00000 0.00000 -0.00737 112 3S -0.00249 -0.00249 0.00000 0.00000 0.01419 113 4S 0.01387 0.01387 0.00000 0.00000 0.01181 114 5S -0.00107 -0.00107 0.00000 0.00000 0.05050 115 6PX 0.05044 0.07146 -0.05067 0.02250 -0.04676 116 6PY 0.07146 0.05044 0.04482 0.03263 -0.04676 117 6PZ 0.07146 0.07146 0.00585 -0.05513 0.03798 118 7PX 0.03415 0.05270 -0.04116 0.01827 -0.03781 119 7PY 0.05270 0.03415 0.03640 0.02651 -0.03781 120 7PZ 0.05270 0.05270 0.00475 -0.04478 0.03139 121 8PX 0.02190 0.02617 -0.05031 0.02234 -0.03887 122 8PY 0.02617 0.02190 0.04450 0.03240 -0.03887 123 8PZ 0.02617 0.02617 0.00581 -0.05474 0.04649 124 9D 0 -0.00043 -0.00043 -0.00010 0.00098 -0.00043 125 9D+1 -0.00332 -0.00406 0.00043 0.00031 0.00045 126 9D-1 -0.00406 -0.00332 -0.00048 0.00021 0.00045 127 9D+2 0.00075 -0.00075 0.00098 0.00010 0.00000 128 9D-2 -0.00332 -0.00332 0.00006 -0.00053 0.00084 129 7 O 1S 0.00074 -0.00074 0.00000 0.00000 0.00302 130 2S 0.00144 -0.00144 0.00000 0.00000 0.00737 131 3S 0.00249 -0.00249 0.00000 0.00000 -0.01419 132 4S -0.01387 0.01387 0.00000 0.00000 -0.01181 133 5S 0.00107 -0.00107 0.00000 0.00000 -0.05050 134 6PX 0.05044 -0.07146 0.05067 -0.02250 -0.04676 135 6PY -0.07146 0.05044 0.04482 0.03263 0.04676 136 6PZ 0.07146 -0.07146 -0.00585 0.05513 0.03798 137 7PX 0.03415 -0.05270 0.04116 -0.01827 -0.03781 138 7PY -0.05270 0.03415 0.03640 0.02651 0.03781 139 7PZ 0.05270 -0.05270 -0.00475 0.04478 0.03139 140 8PX 0.02190 -0.02617 0.05031 -0.02234 -0.03887 141 8PY -0.02617 0.02190 0.04450 0.03240 0.03887 142 8PZ 0.02617 -0.02617 -0.00581 0.05474 0.04649 143 9D 0 0.00043 -0.00043 -0.00010 0.00098 0.00043 144 9D+1 0.00332 -0.00406 0.00043 0.00031 -0.00045 145 9D-1 -0.00406 0.00332 0.00048 -0.00021 0.00045 146 9D+2 -0.00075 -0.00075 0.00098 0.00010 0.00000 147 9D-2 -0.00332 0.00332 -0.00006 0.00053 0.00084 148 8 O 1S -0.00074 0.00074 0.00000 0.00000 0.00302 149 2S -0.00144 0.00144 0.00000 0.00000 0.00737 150 3S -0.00249 0.00249 0.00000 0.00000 -0.01419 151 4S 0.01387 -0.01387 0.00000 0.00000 -0.01181 152 5S -0.00107 0.00107 0.00000 0.00000 -0.05050 153 6PX 0.05044 -0.07146 -0.05067 0.02250 0.04676 154 6PY -0.07146 0.05044 -0.04482 -0.03263 -0.04676 155 6PZ -0.07146 0.07146 -0.00585 0.05513 0.03798 156 7PX 0.03415 -0.05270 -0.04116 0.01827 0.03781 157 7PY -0.05270 0.03415 -0.03640 -0.02651 -0.03781 158 7PZ -0.05270 0.05270 -0.00475 0.04478 0.03139 159 8PX 0.02190 -0.02617 -0.05031 0.02234 0.03887 160 8PY -0.02617 0.02190 -0.04450 -0.03240 -0.03887 161 8PZ -0.02617 0.02617 -0.00581 0.05474 0.04649 162 9D 0 -0.00043 0.00043 -0.00010 0.00098 0.00043 163 9D+1 0.00332 -0.00406 -0.00043 -0.00031 0.00045 164 9D-1 -0.00406 0.00332 -0.00048 0.00021 -0.00045 165 9D+2 0.00075 0.00075 0.00098 0.00010 0.00000 166 9D-2 0.00332 -0.00332 -0.00006 0.00053 0.00084 167 9 O 1S 0.00074 0.00074 0.00000 0.00000 -0.00302 168 2S 0.00144 0.00144 0.00000 0.00000 -0.00737 169 3S 0.00249 0.00249 0.00000 0.00000 0.01419 170 4S -0.01387 -0.01387 0.00000 0.00000 0.01181 171 5S 0.00107 0.00107 0.00000 0.00000 0.05050 172 6PX 0.05044 0.07146 0.05067 -0.02250 0.04676 173 6PY 0.07146 0.05044 -0.04482 -0.03263 0.04676 174 6PZ -0.07146 -0.07146 0.00585 -0.05513 0.03798 175 7PX 0.03415 0.05270 0.04116 -0.01827 0.03781 176 7PY 0.05270 0.03415 -0.03640 -0.02651 0.03781 177 7PZ -0.05270 -0.05270 0.00475 -0.04478 0.03139 178 8PX 0.02190 0.02617 0.05031 -0.02234 0.03887 179 8PY 0.02617 0.02190 -0.04450 -0.03240 0.03887 180 8PZ -0.02617 -0.02617 0.00581 -0.05474 0.04649 181 9D 0 0.00043 0.00043 -0.00010 0.00098 -0.00043 182 9D+1 -0.00332 -0.00406 -0.00043 -0.00031 -0.00045 183 9D-1 -0.00406 -0.00332 0.00048 -0.00021 -0.00045 184 9D+2 -0.00075 0.00075 0.00098 0.00010 0.00000 185 9D-2 0.00332 0.00332 0.00006 -0.00053 0.00084 41 42 43 44 45 (T2)--O (T2)--O (T2)--V (T2)--V (T2)--V Eigenvalues -- -0.25114 -0.25114 -0.04531 -0.04531 -0.04531 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX -0.03065 0.00000 0.01218 0.00000 0.00000 8 7PY 0.00000 -0.03065 0.00000 0.00000 0.01218 9 7PZ 0.00000 0.00000 0.00000 0.01218 0.00000 10 8PX 0.08401 0.00000 -0.03368 0.00000 0.00000 11 8PY 0.00000 0.08401 0.00000 0.00000 -0.03368 12 8PZ 0.00000 0.00000 0.00000 -0.03368 0.00000 13 9PX 0.01568 0.00000 -0.00563 0.00000 0.00000 14 9PY 0.00000 0.01568 0.00000 0.00000 -0.00563 15 9PZ 0.00000 0.00000 0.00000 -0.00563 0.00000 16 10PX -0.18420 0.00000 0.08358 0.00000 0.00000 17 10PY 0.00000 -0.18420 0.00000 0.00000 0.08358 18 10PZ 0.00000 0.00000 0.00000 0.08358 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.51035 0.00000 0.00000 0.27523 21 11D-1 0.51035 0.00000 0.27523 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.27523 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.31480 0.00000 0.00000 0.16507 26 12D-1 0.31480 0.00000 0.16507 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.16507 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.23481 0.00000 0.00000 0.10522 31 13D-1 0.23481 0.00000 0.10522 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.10522 0.00000 34 2 C 1S 0.01106 0.01106 0.01307 0.01307 0.01307 35 2S 0.02406 0.02406 0.02843 0.02843 0.02843 36 3S -0.03618 -0.03618 -0.04342 -0.04342 -0.04342 37 4S -0.07535 -0.07535 -0.12406 -0.12406 -0.12406 38 5S -0.06618 -0.06618 -0.08778 -0.08778 -0.08778 39 6PX -0.00718 0.04419 0.16072 -0.04216 -0.04216 40 6PY 0.04419 -0.00718 -0.04216 -0.04216 0.16072 41 6PZ 0.04419 0.04419 -0.04216 0.16072 -0.04216 42 7PX -0.02168 0.03058 0.16324 -0.05251 -0.05251 43 7PY 0.03058 -0.02168 -0.05251 -0.05251 0.16324 44 7PZ 0.03058 0.03058 -0.05251 0.16324 -0.05251 45 8PX -0.07201 0.00851 0.19126 -0.07932 -0.07932 46 8PY 0.00851 -0.07201 -0.07932 -0.07932 0.19126 47 8PZ 0.00851 0.00851 -0.07932 0.19126 -0.07932 48 9D 0 -0.00543 -0.00543 0.00383 -0.00766 0.00383 49 9D+1 0.00780 0.00086 0.00261 0.00261 0.00911 50 9D-1 0.00086 0.00780 0.00911 0.00261 0.00261 51 9D+2 0.00940 -0.00940 -0.00664 0.00000 0.00664 52 9D-2 0.00780 0.00780 0.00261 0.00911 0.00261 53 3 C 1S -0.01106 -0.01106 -0.01307 0.01307 -0.01307 54 2S -0.02406 -0.02406 -0.02843 0.02843 -0.02843 55 3S 0.03618 0.03618 0.04342 -0.04342 0.04342 56 4S 0.07535 0.07535 0.12406 -0.12406 0.12406 57 5S 0.06618 0.06618 0.08778 -0.08778 0.08778 58 6PX -0.00718 0.04419 0.16072 0.04216 -0.04216 59 6PY 0.04419 -0.00718 -0.04216 0.04216 0.16072 60 6PZ -0.04419 -0.04419 0.04216 0.16072 0.04216 61 7PX -0.02168 0.03058 0.16324 0.05251 -0.05251 62 7PY 0.03058 -0.02168 -0.05251 0.05251 0.16324 63 7PZ -0.03058 -0.03058 0.05251 0.16324 0.05251 64 8PX -0.07201 0.00851 0.19126 0.07932 -0.07932 65 8PY 0.00851 -0.07201 -0.07932 0.07932 0.19126 66 8PZ -0.00851 -0.00851 0.07932 0.19126 0.07932 67 9D 0 0.00543 0.00543 -0.00383 -0.00766 -0.00383 68 9D+1 0.00780 0.00086 0.00261 -0.00261 0.00911 69 9D-1 0.00086 0.00780 0.00911 -0.00261 0.00261 70 9D+2 -0.00940 0.00940 0.00664 0.00000 -0.00664 71 9D-2 -0.00780 -0.00780 -0.00261 0.00911 -0.00261 72 4 C 1S -0.01106 0.01106 -0.01307 -0.01307 0.01307 73 2S -0.02406 0.02406 -0.02843 -0.02843 0.02843 74 3S 0.03618 -0.03618 0.04342 0.04342 -0.04342 75 4S 0.07535 -0.07535 0.12406 0.12406 -0.12406 76 5S 0.06618 -0.06618 0.08778 0.08778 -0.08778 77 6PX -0.00718 -0.04419 0.16072 -0.04216 0.04216 78 6PY -0.04419 -0.00718 0.04216 0.04216 0.16072 79 6PZ 0.04419 -0.04419 -0.04216 0.16072 0.04216 80 7PX -0.02168 -0.03058 0.16324 -0.05251 0.05251 81 7PY -0.03058 -0.02168 0.05251 0.05251 0.16324 82 7PZ 0.03058 -0.03058 -0.05251 0.16324 0.05251 83 8PX -0.07201 -0.00851 0.19126 -0.07932 0.07932 84 8PY -0.00851 -0.07201 0.07932 0.07932 0.19126 85 8PZ 0.00851 -0.00851 -0.07932 0.19126 0.07932 86 9D 0 0.00543 -0.00543 -0.00383 0.00766 0.00383 87 9D+1 -0.00780 0.00086 -0.00261 -0.00261 0.00911 88 9D-1 0.00086 -0.00780 0.00911 0.00261 -0.00261 89 9D+2 -0.00940 -0.00940 0.00664 0.00000 0.00664 90 9D-2 0.00780 -0.00780 0.00261 0.00911 -0.00261 91 5 C 1S 0.01106 -0.01106 0.01307 -0.01307 -0.01307 92 2S 0.02406 -0.02406 0.02843 -0.02843 -0.02843 93 3S -0.03618 0.03618 -0.04342 0.04342 0.04342 94 4S -0.07535 0.07535 -0.12406 0.12406 0.12406 95 5S -0.06618 0.06618 -0.08778 0.08778 0.08778 96 6PX -0.00718 -0.04419 0.16072 0.04216 0.04216 97 6PY -0.04419 -0.00718 0.04216 -0.04216 0.16072 98 6PZ -0.04419 0.04419 0.04216 0.16072 -0.04216 99 7PX -0.02168 -0.03058 0.16324 0.05251 0.05251 100 7PY -0.03058 -0.02168 0.05251 -0.05251 0.16324 101 7PZ -0.03058 0.03058 0.05251 0.16324 -0.05251 102 8PX -0.07201 -0.00851 0.19126 0.07932 0.07932 103 8PY -0.00851 -0.07201 0.07932 -0.07932 0.19126 104 8PZ -0.00851 0.00851 0.07932 0.19126 -0.07932 105 9D 0 -0.00543 0.00543 0.00383 0.00766 -0.00383 106 9D+1 -0.00780 0.00086 -0.00261 0.00261 0.00911 107 9D-1 0.00086 -0.00780 0.00911 -0.00261 -0.00261 108 9D+2 0.00940 0.00940 -0.00664 0.00000 -0.00664 109 9D-2 -0.00780 0.00780 -0.00261 0.00911 0.00261 110 6 O 1S -0.00302 -0.00302 -0.00328 -0.00328 -0.00328 111 2S -0.00737 -0.00737 -0.00794 -0.00794 -0.00794 112 3S 0.01419 0.01419 0.01372 0.01372 0.01372 113 4S 0.01181 0.01181 0.02403 0.02403 0.02403 114 5S 0.05050 0.05050 0.02222 0.02222 0.02222 115 6PX 0.03798 -0.04676 -0.12551 0.04118 0.04118 116 6PY -0.04676 0.03798 0.04118 0.04118 -0.12551 117 6PZ -0.04676 -0.04676 0.04118 -0.12551 0.04118 118 7PX 0.03139 -0.03781 -0.10552 0.03714 0.03714 119 7PY -0.03781 0.03139 0.03714 0.03714 -0.10552 120 7PZ -0.03781 -0.03781 0.03714 -0.10552 0.03714 121 8PX 0.04649 -0.03887 -0.15577 0.05705 0.05705 122 8PY -0.03887 0.04649 0.05705 0.05705 -0.15577 123 8PZ -0.03887 -0.03887 0.05705 -0.15577 0.05705 124 9D 0 0.00022 0.00022 0.00210 -0.00421 0.00210 125 9D+1 0.00045 0.00084 -0.00108 -0.00108 0.00249 126 9D-1 0.00084 0.00045 0.00249 -0.00108 -0.00108 127 9D+2 -0.00038 0.00038 -0.00365 0.00000 0.00365 128 9D-2 0.00045 0.00045 -0.00108 0.00249 -0.00108 129 7 O 1S 0.00302 -0.00302 0.00328 0.00328 -0.00328 130 2S 0.00737 -0.00737 0.00794 0.00794 -0.00794 131 3S -0.01419 0.01419 -0.01372 -0.01372 0.01372 132 4S -0.01181 0.01181 -0.02403 -0.02403 0.02403 133 5S -0.05050 0.05050 -0.02222 -0.02222 0.02222 134 6PX 0.03798 0.04676 -0.12551 0.04118 -0.04118 135 6PY 0.04676 0.03798 -0.04118 -0.04118 -0.12551 136 6PZ -0.04676 0.04676 0.04118 -0.12551 -0.04118 137 7PX 0.03139 0.03781 -0.10552 0.03714 -0.03714 138 7PY 0.03781 0.03139 -0.03714 -0.03714 -0.10552 139 7PZ -0.03781 0.03781 0.03714 -0.10552 -0.03714 140 8PX 0.04649 0.03887 -0.15577 0.05705 -0.05705 141 8PY 0.03887 0.04649 -0.05705 -0.05705 -0.15577 142 8PZ -0.03887 0.03887 0.05705 -0.15577 -0.05705 143 9D 0 -0.00022 0.00022 -0.00210 0.00421 0.00210 144 9D+1 -0.00045 0.00084 0.00108 0.00108 0.00249 145 9D-1 0.00084 -0.00045 0.00249 -0.00108 0.00108 146 9D+2 0.00038 0.00038 0.00365 0.00000 0.00365 147 9D-2 0.00045 -0.00045 -0.00108 0.00249 0.00108 148 8 O 1S -0.00302 0.00302 -0.00328 0.00328 0.00328 149 2S -0.00737 0.00737 -0.00794 0.00794 0.00794 150 3S 0.01419 -0.01419 0.01372 -0.01372 -0.01372 151 4S 0.01181 -0.01181 0.02403 -0.02403 -0.02403 152 5S 0.05050 -0.05050 0.02222 -0.02222 -0.02222 153 6PX 0.03798 0.04676 -0.12551 -0.04118 -0.04118 154 6PY 0.04676 0.03798 -0.04118 0.04118 -0.12551 155 6PZ 0.04676 -0.04676 -0.04118 -0.12551 0.04118 156 7PX 0.03139 0.03781 -0.10552 -0.03714 -0.03714 157 7PY 0.03781 0.03139 -0.03714 0.03714 -0.10552 158 7PZ 0.03781 -0.03781 -0.03714 -0.10552 0.03714 159 8PX 0.04649 0.03887 -0.15577 -0.05705 -0.05705 160 8PY 0.03887 0.04649 -0.05705 0.05705 -0.15577 161 8PZ 0.03887 -0.03887 -0.05705 -0.15577 0.05705 162 9D 0 0.00022 -0.00022 0.00210 0.00421 -0.00210 163 9D+1 -0.00045 0.00084 0.00108 -0.00108 0.00249 164 9D-1 0.00084 -0.00045 0.00249 0.00108 0.00108 165 9D+2 -0.00038 -0.00038 -0.00365 0.00000 -0.00365 166 9D-2 -0.00045 0.00045 0.00108 0.00249 -0.00108 167 9 O 1S 0.00302 0.00302 0.00328 -0.00328 0.00328 168 2S 0.00737 0.00737 0.00794 -0.00794 0.00794 169 3S -0.01419 -0.01419 -0.01372 0.01372 -0.01372 170 4S -0.01181 -0.01181 -0.02403 0.02403 -0.02403 171 5S -0.05050 -0.05050 -0.02222 0.02222 -0.02222 172 6PX 0.03798 -0.04676 -0.12551 -0.04118 0.04118 173 6PY -0.04676 0.03798 0.04118 -0.04118 -0.12551 174 6PZ 0.04676 0.04676 -0.04118 -0.12551 -0.04118 175 7PX 0.03139 -0.03781 -0.10552 -0.03714 0.03714 176 7PY -0.03781 0.03139 0.03714 -0.03714 -0.10552 177 7PZ 0.03781 0.03781 -0.03714 -0.10552 -0.03714 178 8PX 0.04649 -0.03887 -0.15577 -0.05705 0.05705 179 8PY -0.03887 0.04649 0.05705 -0.05705 -0.15577 180 8PZ 0.03887 0.03887 -0.05705 -0.15577 -0.05705 181 9D 0 -0.00022 -0.00022 -0.00210 -0.00421 -0.00210 182 9D+1 0.00045 0.00084 -0.00108 0.00108 0.00249 183 9D-1 0.00084 0.00045 0.00249 0.00108 -0.00108 184 9D+2 0.00038 -0.00038 0.00365 0.00000 -0.00365 185 9D-2 -0.00045 -0.00045 0.00108 0.00249 0.00108 46 47 48 49 50 (E)--V (E)--V (T1)--V (T1)--V (T1)--V Eigenvalues -- -0.03398 -0.03398 -0.01442 -0.01442 -0.01442 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.06094 0.25035 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.25035 -0.06094 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.03689 0.15157 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.15157 -0.03689 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.02031 0.08343 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.08343 -0.02031 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.00000 0.00000 0.00000 38 5S 0.00000 0.00000 0.00000 0.00000 0.00000 39 6PX -0.10617 0.10139 0.15603 0.15603 0.00000 40 6PY 0.14089 0.04125 -0.15603 0.00000 0.15603 41 6PZ -0.03472 -0.14264 0.00000 -0.15603 -0.15603 42 7PX -0.11350 0.10839 0.18039 0.18039 0.00000 43 7PY 0.15062 0.04410 -0.18039 0.00000 0.18039 44 7PZ -0.03712 -0.15249 0.00000 -0.18039 -0.18039 45 8PX -0.14055 0.13422 0.16645 0.16645 0.00000 46 8PY 0.18651 0.05461 -0.16645 0.00000 0.16645 47 8PZ -0.04596 -0.18883 0.00000 -0.16645 -0.16645 48 9D 0 0.00125 0.00513 0.00000 0.00732 0.00732 49 9D+1 0.00484 0.00142 -0.00300 0.00000 0.00300 50 9D-1 -0.00364 0.00348 0.00300 0.00300 0.00000 51 9D+2 0.00513 -0.00125 -0.00846 -0.00423 0.00423 52 9D-2 -0.00119 -0.00490 0.00000 -0.00300 -0.00300 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 0.00000 56 4S 0.00000 0.00000 0.00000 0.00000 0.00000 57 5S 0.00000 0.00000 0.00000 0.00000 0.00000 58 6PX 0.10617 -0.10139 -0.15603 0.15603 0.00000 59 6PY -0.14089 -0.04125 0.15603 0.00000 0.15603 60 6PZ -0.03472 -0.14264 0.00000 0.15603 0.15603 61 7PX 0.11350 -0.10839 -0.18039 0.18039 0.00000 62 7PY -0.15062 -0.04410 0.18039 0.00000 0.18039 63 7PZ -0.03712 -0.15249 0.00000 0.18039 0.18039 64 8PX 0.14055 -0.13422 -0.16645 0.16645 0.00000 65 8PY -0.18651 -0.05461 0.16645 0.00000 0.16645 66 8PZ -0.04596 -0.18883 0.00000 0.16645 0.16645 67 9D 0 0.00125 0.00513 0.00000 -0.00732 -0.00732 68 9D+1 -0.00484 -0.00142 0.00300 0.00000 0.00300 69 9D-1 0.00364 -0.00348 -0.00300 0.00300 0.00000 70 9D+2 0.00513 -0.00125 -0.00846 0.00423 -0.00423 71 9D-2 -0.00119 -0.00490 0.00000 0.00300 0.00300 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00000 0.00000 0.00000 0.00000 0.00000 76 5S 0.00000 0.00000 0.00000 0.00000 0.00000 77 6PX 0.10617 -0.10139 0.15603 -0.15603 0.00000 78 6PY 0.14089 0.04125 0.15603 0.00000 -0.15603 79 6PZ 0.03472 0.14264 0.00000 0.15603 -0.15603 80 7PX 0.11350 -0.10839 0.18039 -0.18039 0.00000 81 7PY 0.15062 0.04410 0.18039 0.00000 -0.18039 82 7PZ 0.03712 0.15249 0.00000 0.18039 -0.18039 83 8PX 0.14055 -0.13422 0.16645 -0.16645 0.00000 84 8PY 0.18651 0.05461 0.16645 0.00000 -0.16645 85 8PZ 0.04596 0.18883 0.00000 0.16645 -0.16645 86 9D 0 0.00125 0.00513 0.00000 0.00732 -0.00732 87 9D+1 0.00484 0.00142 0.00300 0.00000 -0.00300 88 9D-1 0.00364 -0.00348 0.00300 -0.00300 0.00000 89 9D+2 0.00513 -0.00125 0.00846 -0.00423 -0.00423 90 9D-2 0.00119 0.00490 0.00000 0.00300 -0.00300 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 0.00000 0.00000 0.00000 0.00000 96 6PX -0.10617 0.10139 -0.15603 -0.15603 0.00000 97 6PY -0.14089 -0.04125 -0.15603 0.00000 -0.15603 98 6PZ 0.03472 0.14264 0.00000 -0.15603 0.15603 99 7PX -0.11350 0.10839 -0.18039 -0.18039 0.00000 100 7PY -0.15062 -0.04410 -0.18039 0.00000 -0.18039 101 7PZ 0.03712 0.15249 0.00000 -0.18039 0.18039 102 8PX -0.14055 0.13422 -0.16645 -0.16645 0.00000 103 8PY -0.18651 -0.05461 -0.16645 0.00000 -0.16645 104 8PZ 0.04596 0.18883 0.00000 -0.16645 0.16645 105 9D 0 0.00125 0.00513 0.00000 -0.00732 0.00732 106 9D+1 -0.00484 -0.00142 -0.00300 0.00000 -0.00300 107 9D-1 -0.00364 0.00348 -0.00300 -0.00300 0.00000 108 9D+2 0.00513 -0.00125 0.00846 0.00423 0.00423 109 9D-2 0.00119 0.00490 0.00000 -0.00300 0.00300 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX 0.08562 -0.08176 -0.11039 -0.11039 0.00000 116 6PY -0.11362 -0.03327 0.11039 0.00000 -0.11039 117 6PZ 0.02800 0.11503 0.00000 0.11039 0.11039 118 7PX 0.07395 -0.07062 -0.09544 -0.09544 0.00000 119 7PY -0.09813 -0.02873 0.09544 0.00000 -0.09544 120 7PZ 0.02418 0.09935 0.00000 0.09544 0.09544 121 8PX 0.10897 -0.10406 -0.14832 -0.14832 0.00000 122 8PY -0.14461 -0.04234 0.14832 0.00000 -0.14832 123 8PZ 0.03564 0.14640 0.00000 0.14832 0.14832 124 9D 0 0.00108 0.00443 0.00000 0.00570 0.00570 125 9D+1 0.00274 0.00080 -0.00318 0.00000 0.00318 126 9D-1 -0.00207 0.00197 0.00318 0.00318 0.00000 127 9D+2 0.00443 -0.00108 -0.00658 -0.00329 0.00329 128 9D-2 -0.00068 -0.00278 0.00000 -0.00318 -0.00318 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX -0.08562 0.08176 -0.11039 0.11039 0.00000 135 6PY -0.11362 -0.03327 -0.11039 0.00000 0.11039 136 6PZ -0.02800 -0.11503 0.00000 -0.11039 0.11039 137 7PX -0.07395 0.07062 -0.09544 0.09544 0.00000 138 7PY -0.09813 -0.02873 -0.09544 0.00000 0.09544 139 7PZ -0.02418 -0.09935 0.00000 -0.09544 0.09544 140 8PX -0.10897 0.10406 -0.14832 0.14832 0.00000 141 8PY -0.14461 -0.04234 -0.14832 0.00000 0.14832 142 8PZ -0.03564 -0.14640 0.00000 -0.14832 0.14832 143 9D 0 0.00108 0.00443 0.00000 0.00570 -0.00570 144 9D+1 0.00274 0.00080 0.00318 0.00000 -0.00318 145 9D-1 0.00207 -0.00197 0.00318 -0.00318 0.00000 146 9D+2 0.00443 -0.00108 0.00658 -0.00329 -0.00329 147 9D-2 0.00068 0.00278 0.00000 0.00318 -0.00318 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.08562 -0.08176 0.11039 0.11039 0.00000 154 6PY 0.11362 0.03327 0.11039 0.00000 0.11039 155 6PZ -0.02800 -0.11503 0.00000 0.11039 -0.11039 156 7PX 0.07395 -0.07062 0.09544 0.09544 0.00000 157 7PY 0.09813 0.02873 0.09544 0.00000 0.09544 158 7PZ -0.02418 -0.09935 0.00000 0.09544 -0.09544 159 8PX 0.10897 -0.10406 0.14832 0.14832 0.00000 160 8PY 0.14461 0.04234 0.14832 0.00000 0.14832 161 8PZ -0.03564 -0.14640 0.00000 0.14832 -0.14832 162 9D 0 0.00108 0.00443 0.00000 -0.00570 0.00570 163 9D+1 -0.00274 -0.00080 -0.00318 0.00000 -0.00318 164 9D-1 -0.00207 0.00197 -0.00318 -0.00318 0.00000 165 9D+2 0.00443 -0.00108 0.00658 0.00329 0.00329 166 9D-2 0.00068 0.00278 0.00000 -0.00318 0.00318 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX -0.08562 0.08176 0.11039 -0.11039 0.00000 173 6PY 0.11362 0.03327 -0.11039 0.00000 -0.11039 174 6PZ 0.02800 0.11503 0.00000 -0.11039 -0.11039 175 7PX -0.07395 0.07062 0.09544 -0.09544 0.00000 176 7PY 0.09813 0.02873 -0.09544 0.00000 -0.09544 177 7PZ 0.02418 0.09935 0.00000 -0.09544 -0.09544 178 8PX -0.10897 0.10406 0.14832 -0.14832 0.00000 179 8PY 0.14461 0.04234 -0.14832 0.00000 -0.14832 180 8PZ 0.03564 0.14640 0.00000 -0.14832 -0.14832 181 9D 0 0.00108 0.00443 0.00000 -0.00570 -0.00570 182 9D+1 -0.00274 -0.00080 0.00318 0.00000 0.00318 183 9D-1 0.00207 -0.00197 -0.00318 0.00318 0.00000 184 9D+2 0.00443 -0.00108 -0.00658 0.00329 -0.00329 185 9D-2 -0.00068 -0.00278 0.00000 0.00318 0.00318 51 52 53 54 55 (A1)--V (T2)--V (T2)--V (T2)--V (A1)--V Eigenvalues -- 0.02477 0.10798 0.10798 0.10798 0.18844 1 1 Ni 1S 0.00764 0.00000 0.00000 0.00000 -0.01978 2 2S -0.02099 0.00000 0.00000 0.00000 0.06185 3 3S 0.06433 0.00000 0.00000 0.00000 -0.15416 4 4S 0.03481 0.00000 0.00000 0.00000 -0.17346 5 5S 0.15038 0.00000 0.00000 0.00000 -0.49136 6 6S 3.73916 0.00000 0.00000 0.00000 3.02580 7 7PX 0.00000 0.00000 0.02221 0.00000 0.00000 8 7PY 0.00000 0.02221 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.02221 0.00000 10 8PX 0.00000 0.00000 -0.06276 0.00000 0.00000 11 8PY 0.00000 -0.06276 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.06276 0.00000 13 9PX 0.00000 0.00000 -0.00543 0.00000 0.00000 14 9PY 0.00000 -0.00543 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.00543 0.00000 16 10PX 0.00000 0.00000 -0.11818 0.00000 0.00000 17 10PY 0.00000 -0.11818 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 -0.11818 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 -0.05362 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 -0.05362 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.05362 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.02175 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 -0.02175 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.02175 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 -0.05994 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 -0.05994 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.05994 0.00000 34 2 C 1S 0.00981 -0.00867 -0.00867 -0.00867 0.02988 35 2S 0.02380 -0.01990 -0.01990 -0.01990 0.06582 36 3S -0.08865 0.04845 0.04845 0.04845 -0.10357 37 4S 0.17954 -0.09605 -0.09605 -0.09605 -0.50319 38 5S -0.87305 -0.77624 -0.77624 -0.77624 -1.60252 39 6PX 0.02103 -0.04150 0.01846 -0.04150 0.03891 40 6PY 0.02103 0.01846 -0.04150 -0.04150 0.03891 41 6PZ 0.02103 -0.04150 -0.04150 0.01846 0.03891 42 7PX 0.03951 -0.10480 0.03876 -0.10480 -0.03006 43 7PY 0.03951 0.03876 -0.10480 -0.10480 -0.03006 44 7PZ 0.03951 -0.10480 -0.10480 0.03876 -0.03006 45 8PX 0.36662 -0.52250 -0.85201 -0.52250 -0.36529 46 8PY 0.36662 -0.85201 -0.52250 -0.52250 -0.36529 47 8PZ 0.36662 -0.52250 -0.52250 -0.85201 -0.36529 48 9D 0 0.00000 0.00008 0.00008 -0.00016 0.00000 49 9D+1 -0.00661 0.01037 0.01073 0.01073 0.01324 50 9D-1 -0.00661 0.01073 0.01037 0.01073 0.01324 51 9D+2 0.00000 0.00014 -0.00014 0.00000 0.00000 52 9D-2 -0.00661 0.01073 0.01073 0.01037 0.01324 53 3 C 1S 0.00981 0.00867 0.00867 -0.00867 0.02988 54 2S 0.02380 0.01990 0.01990 -0.01990 0.06582 55 3S -0.08865 -0.04845 -0.04845 0.04845 -0.10357 56 4S 0.17954 0.09605 0.09605 -0.09605 -0.50319 57 5S -0.87305 0.77624 0.77624 -0.77624 -1.60252 58 6PX -0.02103 -0.04150 0.01846 0.04150 -0.03891 59 6PY -0.02103 0.01846 -0.04150 0.04150 -0.03891 60 6PZ 0.02103 0.04150 0.04150 0.01846 0.03891 61 7PX -0.03951 -0.10480 0.03876 0.10480 0.03006 62 7PY -0.03951 0.03876 -0.10480 0.10480 0.03006 63 7PZ 0.03951 0.10480 0.10480 0.03876 -0.03006 64 8PX -0.36662 -0.52250 -0.85201 0.52250 0.36529 65 8PY -0.36662 -0.85201 -0.52250 0.52250 0.36529 66 8PZ 0.36662 0.52250 0.52250 -0.85201 -0.36529 67 9D 0 0.00000 -0.00008 -0.00008 -0.00016 0.00000 68 9D+1 0.00661 0.01037 0.01073 -0.01073 -0.01324 69 9D-1 0.00661 0.01073 0.01037 -0.01073 -0.01324 70 9D+2 0.00000 -0.00014 0.00014 0.00000 0.00000 71 9D-2 -0.00661 -0.01073 -0.01073 0.01037 0.01324 72 4 C 1S 0.00981 -0.00867 0.00867 0.00867 0.02988 73 2S 0.02380 -0.01990 0.01990 0.01990 0.06582 74 3S -0.08865 0.04845 -0.04845 -0.04845 -0.10357 75 4S 0.17954 -0.09605 0.09605 0.09605 -0.50319 76 5S -0.87305 -0.77624 0.77624 0.77624 -1.60252 77 6PX -0.02103 0.04150 0.01846 -0.04150 -0.03891 78 6PY 0.02103 0.01846 0.04150 0.04150 0.03891 79 6PZ -0.02103 0.04150 -0.04150 0.01846 -0.03891 80 7PX -0.03951 0.10480 0.03876 -0.10480 0.03006 81 7PY 0.03951 0.03876 0.10480 0.10480 -0.03006 82 7PZ -0.03951 0.10480 -0.10480 0.03876 0.03006 83 8PX -0.36662 0.52250 -0.85201 -0.52250 0.36529 84 8PY 0.36662 -0.85201 0.52250 0.52250 -0.36529 85 8PZ -0.36662 0.52250 -0.52250 -0.85201 0.36529 86 9D 0 0.00000 0.00008 -0.00008 0.00016 0.00000 87 9D+1 -0.00661 0.01037 -0.01073 -0.01073 0.01324 88 9D-1 0.00661 -0.01073 0.01037 0.01073 -0.01324 89 9D+2 0.00000 0.00014 0.00014 0.00000 0.00000 90 9D-2 0.00661 -0.01073 0.01073 0.01037 -0.01324 91 5 C 1S 0.00981 0.00867 -0.00867 0.00867 0.02988 92 2S 0.02380 0.01990 -0.01990 0.01990 0.06582 93 3S -0.08865 -0.04845 0.04845 -0.04845 -0.10357 94 4S 0.17954 0.09605 -0.09605 0.09605 -0.50319 95 5S -0.87305 0.77624 -0.77624 0.77624 -1.60252 96 6PX 0.02103 0.04150 0.01846 0.04150 0.03891 97 6PY -0.02103 0.01846 0.04150 -0.04150 -0.03891 98 6PZ -0.02103 -0.04150 0.04150 0.01846 -0.03891 99 7PX 0.03951 0.10480 0.03876 0.10480 -0.03006 100 7PY -0.03951 0.03876 0.10480 -0.10480 0.03006 101 7PZ -0.03951 -0.10480 0.10480 0.03876 0.03006 102 8PX 0.36662 0.52250 -0.85201 0.52250 -0.36529 103 8PY -0.36662 -0.85201 0.52250 -0.52250 0.36529 104 8PZ -0.36662 -0.52250 0.52250 -0.85201 0.36529 105 9D 0 0.00000 -0.00008 0.00008 0.00016 0.00000 106 9D+1 0.00661 0.01037 -0.01073 0.01073 -0.01324 107 9D-1 -0.00661 -0.01073 0.01037 -0.01073 0.01324 108 9D+2 0.00000 -0.00014 -0.00014 0.00000 0.00000 109 9D-2 0.00661 0.01073 -0.01073 0.01037 -0.01324 110 6 O 1S 0.00958 -0.01471 -0.01471 -0.01471 -0.01784 111 2S 0.02373 -0.03858 -0.03858 -0.03858 -0.04521 112 3S -0.04696 0.10867 0.10867 0.10867 0.10408 113 4S -0.03497 -0.12422 -0.12422 -0.12422 -0.00663 114 5S -0.39838 1.27585 1.27585 1.27585 1.11005 115 6PX -0.00272 0.00956 0.00864 0.00956 -0.01941 116 6PY -0.00272 0.00864 0.00956 0.00956 -0.01941 117 6PZ -0.00272 0.00956 0.00956 0.00864 -0.01941 118 7PX 0.00623 0.01751 0.00349 0.01751 -0.00931 119 7PY 0.00623 0.00349 0.01751 0.01751 -0.00931 120 7PZ 0.00623 0.01751 0.01751 0.00349 -0.00931 121 8PX 0.02128 -0.16079 -0.11365 -0.16079 -0.22806 122 8PY 0.02128 -0.11365 -0.16079 -0.16079 -0.22806 123 8PZ 0.02128 -0.16079 -0.16079 -0.11365 -0.22806 124 9D 0 0.00000 0.00094 0.00094 -0.00188 0.00000 125 9D+1 -0.00192 0.00300 0.00114 0.00114 0.00059 126 9D-1 -0.00192 0.00114 0.00300 0.00114 0.00059 127 9D+2 0.00000 0.00162 -0.00162 0.00000 0.00000 128 9D-2 -0.00192 0.00114 0.00114 0.00300 0.00059 129 7 O 1S 0.00958 -0.01471 0.01471 0.01471 -0.01784 130 2S 0.02373 -0.03858 0.03858 0.03858 -0.04521 131 3S -0.04696 0.10867 -0.10867 -0.10867 0.10408 132 4S -0.03497 -0.12422 0.12422 0.12422 -0.00663 133 5S -0.39838 1.27585 -1.27585 -1.27585 1.11005 134 6PX 0.00272 -0.00956 0.00864 0.00956 0.01941 135 6PY -0.00272 0.00864 -0.00956 -0.00956 -0.01941 136 6PZ 0.00272 -0.00956 0.00956 0.00864 0.01941 137 7PX -0.00623 -0.01751 0.00349 0.01751 0.00931 138 7PY 0.00623 0.00349 -0.01751 -0.01751 -0.00931 139 7PZ -0.00623 -0.01751 0.01751 0.00349 0.00931 140 8PX -0.02128 0.16079 -0.11365 -0.16079 0.22806 141 8PY 0.02128 -0.11365 0.16079 0.16079 -0.22806 142 8PZ -0.02128 0.16079 -0.16079 -0.11365 0.22806 143 9D 0 0.00000 0.00094 -0.00094 0.00188 0.00000 144 9D+1 -0.00192 0.00300 -0.00114 -0.00114 0.00059 145 9D-1 0.00192 -0.00114 0.00300 0.00114 -0.00059 146 9D+2 0.00000 0.00162 0.00162 0.00000 0.00000 147 9D-2 0.00192 -0.00114 0.00114 0.00300 -0.00059 148 8 O 1S 0.00958 0.01471 -0.01471 0.01471 -0.01784 149 2S 0.02373 0.03858 -0.03858 0.03858 -0.04521 150 3S -0.04696 -0.10867 0.10867 -0.10867 0.10408 151 4S -0.03497 0.12422 -0.12422 0.12422 -0.00663 152 5S -0.39838 -1.27585 1.27585 -1.27585 1.11005 153 6PX -0.00272 -0.00956 0.00864 -0.00956 -0.01941 154 6PY 0.00272 0.00864 -0.00956 0.00956 0.01941 155 6PZ 0.00272 0.00956 -0.00956 0.00864 0.01941 156 7PX 0.00623 -0.01751 0.00349 -0.01751 -0.00931 157 7PY -0.00623 0.00349 -0.01751 0.01751 0.00931 158 7PZ -0.00623 0.01751 -0.01751 0.00349 0.00931 159 8PX 0.02128 0.16079 -0.11365 0.16079 -0.22806 160 8PY -0.02128 -0.11365 0.16079 -0.16079 0.22806 161 8PZ -0.02128 -0.16079 0.16079 -0.11365 0.22806 162 9D 0 0.00000 -0.00094 0.00094 0.00188 0.00000 163 9D+1 0.00192 0.00300 -0.00114 0.00114 -0.00059 164 9D-1 -0.00192 -0.00114 0.00300 -0.00114 0.00059 165 9D+2 0.00000 -0.00162 -0.00162 0.00000 0.00000 166 9D-2 0.00192 0.00114 -0.00114 0.00300 -0.00059 167 9 O 1S 0.00958 0.01471 0.01471 -0.01471 -0.01784 168 2S 0.02373 0.03858 0.03858 -0.03858 -0.04521 169 3S -0.04696 -0.10867 -0.10867 0.10867 0.10408 170 4S -0.03497 0.12422 0.12422 -0.12422 -0.00663 171 5S -0.39838 -1.27585 -1.27585 1.27585 1.11005 172 6PX 0.00272 0.00956 0.00864 -0.00956 0.01941 173 6PY 0.00272 0.00864 0.00956 -0.00956 0.01941 174 6PZ -0.00272 -0.00956 -0.00956 0.00864 -0.01941 175 7PX -0.00623 0.01751 0.00349 -0.01751 0.00931 176 7PY -0.00623 0.00349 0.01751 -0.01751 0.00931 177 7PZ 0.00623 -0.01751 -0.01751 0.00349 -0.00931 178 8PX -0.02128 -0.16079 -0.11365 0.16079 0.22806 179 8PY -0.02128 -0.11365 -0.16079 0.16079 0.22806 180 8PZ 0.02128 0.16079 0.16079 -0.11365 -0.22806 181 9D 0 0.00000 -0.00094 -0.00094 -0.00188 0.00000 182 9D+1 0.00192 0.00300 0.00114 -0.00114 -0.00059 183 9D-1 0.00192 0.00114 0.00300 -0.00114 -0.00059 184 9D+2 0.00000 -0.00162 0.00162 0.00000 0.00000 185 9D-2 -0.00192 -0.00114 -0.00114 0.00300 0.00059 56 57 58 59 60 (T2)--V (T2)--V (T2)--V (E)--V (E)--V Eigenvalues -- 0.19832 0.19832 0.19832 0.21558 0.21558 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00889 0.00000 0.00000 8 7PY 0.00889 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00889 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.02954 0.00000 0.00000 11 8PY -0.02954 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 -0.02954 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.03826 0.00000 0.00000 14 9PY 0.03826 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.03826 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -0.64120 0.00000 0.00000 17 10PY -0.64120 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 -0.64120 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00239 0.00186 20 11D+1 0.01133 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.01133 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 -0.00186 0.00239 23 11D-2 0.00000 0.01133 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 -0.00872 -0.00677 25 12D+1 0.01960 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.01960 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00677 -0.00872 28 12D-2 0.00000 0.01960 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.05076 0.03942 30 13D+1 -0.05796 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 -0.05796 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 -0.03942 0.05076 33 13D-2 0.00000 -0.05796 0.00000 0.00000 0.00000 34 2 C 1S 0.00463 0.00463 0.00463 0.00000 0.00000 35 2S 0.01067 0.01067 0.01067 0.00000 0.00000 36 3S -0.02003 -0.02003 -0.02003 0.00000 0.00000 37 4S -0.19503 -0.19503 -0.19503 0.00000 0.00000 38 5S -0.27844 -0.27844 -0.27844 0.00000 0.00000 39 6PX 0.06708 0.06708 -0.11983 -0.11533 0.04698 40 6PY -0.11983 0.06708 0.06708 0.01697 -0.12337 41 6PZ 0.06708 -0.11983 0.06708 0.09835 0.07638 42 7PX 0.05088 0.05088 -0.35183 -0.28191 0.11485 43 7PY -0.35183 0.05088 0.05088 0.04149 -0.30157 44 7PZ 0.05088 -0.35183 0.05088 0.24042 0.18672 45 8PX -0.55823 -0.55823 0.08614 0.43519 -0.17730 46 8PY 0.08614 -0.55823 -0.55823 -0.06405 0.46554 47 8PZ -0.55823 0.08614 -0.55823 -0.37114 -0.28824 48 9D 0 0.00503 -0.01007 0.00503 0.00420 0.00326 49 9D+1 0.00752 0.00216 0.00216 -0.00136 0.00988 50 9D-1 0.00216 0.00216 0.00752 0.00923 -0.00376 51 9D+2 0.00872 0.00000 -0.00872 -0.00326 0.00420 52 9D-2 0.00216 0.00752 0.00216 -0.00787 -0.00612 53 3 C 1S -0.00463 0.00463 -0.00463 0.00000 0.00000 54 2S -0.01067 0.01067 -0.01067 0.00000 0.00000 55 3S 0.02003 -0.02003 0.02003 0.00000 0.00000 56 4S 0.19503 -0.19503 0.19503 0.00000 0.00000 57 5S 0.27844 -0.27844 0.27844 0.00000 0.00000 58 6PX 0.06708 -0.06708 -0.11983 0.11533 -0.04698 59 6PY -0.11983 -0.06708 0.06708 -0.01697 0.12337 60 6PZ -0.06708 -0.11983 -0.06708 0.09835 0.07638 61 7PX 0.05088 -0.05088 -0.35183 0.28191 -0.11485 62 7PY -0.35183 -0.05088 0.05088 -0.04149 0.30157 63 7PZ -0.05088 -0.35183 -0.05088 0.24042 0.18672 64 8PX -0.55823 0.55823 0.08614 -0.43519 0.17730 65 8PY 0.08614 0.55823 -0.55823 0.06405 -0.46554 66 8PZ 0.55823 0.08614 0.55823 -0.37114 -0.28824 67 9D 0 -0.00503 -0.01007 -0.00503 0.00420 0.00326 68 9D+1 0.00752 -0.00216 0.00216 0.00136 -0.00988 69 9D-1 0.00216 -0.00216 0.00752 -0.00923 0.00376 70 9D+2 -0.00872 0.00000 0.00872 -0.00326 0.00420 71 9D-2 -0.00216 0.00752 -0.00216 -0.00787 -0.00612 72 4 C 1S 0.00463 -0.00463 -0.00463 0.00000 0.00000 73 2S 0.01067 -0.01067 -0.01067 0.00000 0.00000 74 3S -0.02003 0.02003 0.02003 0.00000 0.00000 75 4S -0.19503 0.19503 0.19503 0.00000 0.00000 76 5S -0.27844 0.27844 0.27844 0.00000 0.00000 77 6PX -0.06708 0.06708 -0.11983 0.11533 -0.04698 78 6PY -0.11983 -0.06708 -0.06708 0.01697 -0.12337 79 6PZ -0.06708 -0.11983 0.06708 -0.09835 -0.07638 80 7PX -0.05088 0.05088 -0.35183 0.28191 -0.11485 81 7PY -0.35183 -0.05088 -0.05088 0.04149 -0.30157 82 7PZ -0.05088 -0.35183 0.05088 -0.24042 -0.18672 83 8PX 0.55823 -0.55823 0.08614 -0.43519 0.17730 84 8PY 0.08614 0.55823 0.55823 -0.06405 0.46554 85 8PZ 0.55823 0.08614 -0.55823 0.37114 0.28824 86 9D 0 0.00503 0.01007 -0.00503 0.00420 0.00326 87 9D+1 0.00752 -0.00216 -0.00216 -0.00136 0.00988 88 9D-1 -0.00216 0.00216 0.00752 -0.00923 0.00376 89 9D+2 0.00872 0.00000 0.00872 -0.00326 0.00420 90 9D-2 -0.00216 0.00752 0.00216 0.00787 0.00612 91 5 C 1S -0.00463 -0.00463 0.00463 0.00000 0.00000 92 2S -0.01067 -0.01067 0.01067 0.00000 0.00000 93 3S 0.02003 0.02003 -0.02003 0.00000 0.00000 94 4S 0.19503 0.19503 -0.19503 0.00000 0.00000 95 5S 0.27844 0.27844 -0.27844 0.00000 0.00000 96 6PX -0.06708 -0.06708 -0.11983 -0.11533 0.04698 97 6PY -0.11983 0.06708 -0.06708 -0.01697 0.12337 98 6PZ 0.06708 -0.11983 -0.06708 -0.09835 -0.07638 99 7PX -0.05088 -0.05088 -0.35183 -0.28191 0.11485 100 7PY -0.35183 0.05088 -0.05088 -0.04149 0.30157 101 7PZ 0.05088 -0.35183 -0.05088 -0.24042 -0.18672 102 8PX 0.55823 0.55823 0.08614 0.43519 -0.17730 103 8PY 0.08614 -0.55823 0.55823 0.06405 -0.46554 104 8PZ -0.55823 0.08614 0.55823 0.37114 0.28824 105 9D 0 -0.00503 0.01007 0.00503 0.00420 0.00326 106 9D+1 0.00752 0.00216 -0.00216 0.00136 -0.00988 107 9D-1 -0.00216 -0.00216 0.00752 0.00923 -0.00376 108 9D+2 -0.00872 0.00000 -0.00872 -0.00326 0.00420 109 9D-2 0.00216 0.00752 -0.00216 0.00787 0.00612 110 6 O 1S -0.00947 -0.00947 -0.00947 0.00000 0.00000 111 2S -0.02363 -0.02363 -0.02363 0.00000 0.00000 112 3S 0.04899 0.04899 0.04899 0.00000 0.00000 113 4S 0.02112 0.02112 0.02112 0.00000 0.00000 114 5S 0.67728 0.67728 0.67728 0.00000 0.00000 115 6PX 0.00629 0.00629 0.00768 -0.01247 0.00508 116 6PY 0.00768 0.00629 0.00629 0.00184 -0.01334 117 6PZ 0.00629 0.00768 0.00629 0.01064 0.00826 118 7PX 0.00287 0.00287 0.00690 -0.02179 0.00888 119 7PY 0.00690 0.00287 0.00287 0.00321 -0.02331 120 7PZ 0.00287 0.00690 0.00287 0.01858 0.01443 121 8PX -0.14829 -0.14829 -0.11699 0.06048 -0.02464 122 8PY -0.11699 -0.14829 -0.14829 -0.00890 0.06470 123 8PZ -0.14829 -0.11699 -0.14829 -0.05158 -0.04006 124 9D 0 -0.00379 0.00759 -0.00379 -0.00700 -0.00544 125 9D+1 -0.00305 0.00352 0.00352 0.00058 -0.00424 126 9D-1 0.00352 0.00352 -0.00305 -0.00396 0.00161 127 9D+2 -0.00657 0.00000 0.00657 0.00544 -0.00700 128 9D-2 0.00352 -0.00305 0.00352 0.00338 0.00262 129 7 O 1S -0.00947 0.00947 0.00947 0.00000 0.00000 130 2S -0.02363 0.02363 0.02363 0.00000 0.00000 131 3S 0.04899 -0.04899 -0.04899 0.00000 0.00000 132 4S 0.02112 -0.02112 -0.02112 0.00000 0.00000 133 5S 0.67728 -0.67728 -0.67728 0.00000 0.00000 134 6PX -0.00629 0.00629 0.00768 0.01247 -0.00508 135 6PY 0.00768 -0.00629 -0.00629 0.00184 -0.01334 136 6PZ -0.00629 0.00768 0.00629 -0.01064 -0.00826 137 7PX -0.00287 0.00287 0.00690 0.02179 -0.00888 138 7PY 0.00690 -0.00287 -0.00287 0.00321 -0.02331 139 7PZ -0.00287 0.00690 0.00287 -0.01858 -0.01443 140 8PX 0.14829 -0.14829 -0.11699 -0.06048 0.02464 141 8PY -0.11699 0.14829 0.14829 -0.00890 0.06470 142 8PZ 0.14829 -0.11699 -0.14829 0.05158 0.04006 143 9D 0 -0.00379 -0.00759 0.00379 -0.00700 -0.00544 144 9D+1 -0.00305 -0.00352 -0.00352 0.00058 -0.00424 145 9D-1 -0.00352 0.00352 -0.00305 0.00396 -0.00161 146 9D+2 -0.00657 0.00000 -0.00657 0.00544 -0.00700 147 9D-2 -0.00352 -0.00305 0.00352 -0.00338 -0.00262 148 8 O 1S 0.00947 0.00947 -0.00947 0.00000 0.00000 149 2S 0.02363 0.02363 -0.02363 0.00000 0.00000 150 3S -0.04899 -0.04899 0.04899 0.00000 0.00000 151 4S -0.02112 -0.02112 0.02112 0.00000 0.00000 152 5S -0.67728 -0.67728 0.67728 0.00000 0.00000 153 6PX -0.00629 -0.00629 0.00768 -0.01247 0.00508 154 6PY 0.00768 0.00629 -0.00629 -0.00184 0.01334 155 6PZ 0.00629 0.00768 -0.00629 -0.01064 -0.00826 156 7PX -0.00287 -0.00287 0.00690 -0.02179 0.00888 157 7PY 0.00690 0.00287 -0.00287 -0.00321 0.02331 158 7PZ 0.00287 0.00690 -0.00287 -0.01858 -0.01443 159 8PX 0.14829 0.14829 -0.11699 0.06048 -0.02464 160 8PY -0.11699 -0.14829 0.14829 0.00890 -0.06470 161 8PZ -0.14829 -0.11699 0.14829 0.05158 0.04006 162 9D 0 0.00379 -0.00759 -0.00379 -0.00700 -0.00544 163 9D+1 -0.00305 0.00352 -0.00352 -0.00058 0.00424 164 9D-1 -0.00352 -0.00352 -0.00305 -0.00396 0.00161 165 9D+2 0.00657 0.00000 0.00657 0.00544 -0.00700 166 9D-2 0.00352 -0.00305 -0.00352 -0.00338 -0.00262 167 9 O 1S 0.00947 -0.00947 0.00947 0.00000 0.00000 168 2S 0.02363 -0.02363 0.02363 0.00000 0.00000 169 3S -0.04899 0.04899 -0.04899 0.00000 0.00000 170 4S -0.02112 0.02112 -0.02112 0.00000 0.00000 171 5S -0.67728 0.67728 -0.67728 0.00000 0.00000 172 6PX 0.00629 -0.00629 0.00768 0.01247 -0.00508 173 6PY 0.00768 -0.00629 0.00629 -0.00184 0.01334 174 6PZ -0.00629 0.00768 -0.00629 0.01064 0.00826 175 7PX 0.00287 -0.00287 0.00690 0.02179 -0.00888 176 7PY 0.00690 -0.00287 0.00287 -0.00321 0.02331 177 7PZ -0.00287 0.00690 -0.00287 0.01858 0.01443 178 8PX -0.14829 0.14829 -0.11699 -0.06048 0.02464 179 8PY -0.11699 0.14829 -0.14829 0.00890 -0.06470 180 8PZ 0.14829 -0.11699 0.14829 -0.05158 -0.04006 181 9D 0 0.00379 0.00759 0.00379 -0.00700 -0.00544 182 9D+1 -0.00305 -0.00352 0.00352 -0.00058 0.00424 183 9D-1 0.00352 -0.00352 -0.00305 0.00396 -0.00161 184 9D+2 0.00657 0.00000 -0.00657 0.00544 -0.00700 185 9D-2 -0.00352 -0.00305 -0.00352 0.00338 0.00262 61 62 63 64 65 (T1)--V (T1)--V (T1)--V (A1)--V (T2)--V Eigenvalues -- 0.28402 0.28402 0.28402 0.29496 0.31668 1 1 Ni 1S 0.00000 0.00000 0.00000 -0.02506 0.00000 2 2S 0.00000 0.00000 0.00000 0.09905 0.00000 3 3S 0.00000 0.00000 0.00000 -0.16059 0.00000 4 4S 0.00000 0.00000 0.00000 -0.44929 0.00000 5 5S 0.00000 0.00000 0.00000 3.44305 0.00000 6 6S 0.00000 0.00000 0.00000 0.37860 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.02962 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 -0.08079 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.04941 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 1.60910 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00209 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00997 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.08382 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.01152 -0.01352 35 2S 0.00000 0.00000 0.00000 0.02848 -0.02310 36 3S 0.00000 0.00000 0.00000 -0.08695 -0.09878 37 4S 0.00000 0.00000 0.00000 0.51172 1.55679 38 5S 0.00000 0.00000 0.00000 -0.15380 -1.35535 39 6PX -0.06273 -0.06273 0.00000 0.01665 -0.02945 40 6PY 0.00000 0.06273 -0.06273 0.01665 0.00151 41 6PZ 0.06273 0.00000 0.06273 0.01665 0.00151 42 7PX -0.25476 -0.25476 0.00000 0.08743 -0.00563 43 7PY 0.00000 0.25476 -0.25476 0.08743 0.16328 44 7PZ 0.25476 0.00000 0.25476 0.08743 0.16328 45 8PX 0.62593 0.62593 0.00000 0.61160 1.12280 46 8PY 0.00000 -0.62593 0.62593 0.61160 0.76837 47 8PZ -0.62593 0.00000 -0.62593 0.61160 0.76837 48 9D 0 0.00949 0.00000 0.00949 0.00000 0.00529 49 9D+1 0.00000 -0.00097 0.00097 0.01695 0.02031 50 9D-1 0.00097 0.00097 0.00000 0.01695 0.01123 51 9D+2 -0.00548 -0.01096 0.00548 0.00000 -0.00917 52 9D-2 -0.00097 0.00000 -0.00097 0.01695 0.02031 53 3 C 1S 0.00000 0.00000 0.00000 0.01152 0.01352 54 2S 0.00000 0.00000 0.00000 0.02848 0.02310 55 3S 0.00000 0.00000 0.00000 -0.08695 0.09878 56 4S 0.00000 0.00000 0.00000 0.51172 -1.55679 57 5S 0.00000 0.00000 0.00000 -0.15380 1.35535 58 6PX -0.06273 0.06273 0.00000 -0.01665 -0.02945 59 6PY 0.00000 -0.06273 -0.06273 -0.01665 0.00151 60 6PZ -0.06273 0.00000 -0.06273 0.01665 -0.00151 61 7PX -0.25476 0.25476 0.00000 -0.08743 -0.00563 62 7PY 0.00000 -0.25476 -0.25476 -0.08743 0.16328 63 7PZ -0.25476 0.00000 -0.25476 0.08743 -0.16328 64 8PX 0.62593 -0.62593 0.00000 -0.61160 1.12280 65 8PY 0.00000 0.62593 0.62593 -0.61160 0.76837 66 8PZ 0.62593 0.00000 0.62593 0.61160 -0.76837 67 9D 0 -0.00949 0.00000 -0.00949 0.00000 -0.00529 68 9D+1 0.00000 0.00097 0.00097 -0.01695 0.02031 69 9D-1 0.00097 -0.00097 0.00000 -0.01695 0.01123 70 9D+2 0.00548 -0.01096 -0.00548 0.00000 0.00917 71 9D-2 0.00097 0.00000 0.00097 0.01695 -0.02031 72 4 C 1S 0.00000 0.00000 0.00000 0.01152 0.01352 73 2S 0.00000 0.00000 0.00000 0.02848 0.02310 74 3S 0.00000 0.00000 0.00000 -0.08695 0.09878 75 4S 0.00000 0.00000 0.00000 0.51172 -1.55679 76 5S 0.00000 0.00000 0.00000 -0.15380 1.35535 77 6PX 0.06273 -0.06273 0.00000 -0.01665 -0.02945 78 6PY 0.00000 -0.06273 0.06273 0.01665 -0.00151 79 6PZ -0.06273 0.00000 0.06273 -0.01665 0.00151 80 7PX 0.25476 -0.25476 0.00000 -0.08743 -0.00563 81 7PY 0.00000 -0.25476 0.25476 0.08743 -0.16328 82 7PZ -0.25476 0.00000 0.25476 -0.08743 0.16328 83 8PX -0.62593 0.62593 0.00000 -0.61160 1.12280 84 8PY 0.00000 0.62593 -0.62593 0.61160 -0.76837 85 8PZ 0.62593 0.00000 -0.62593 -0.61160 0.76837 86 9D 0 0.00949 0.00000 -0.00949 0.00000 -0.00529 87 9D+1 0.00000 0.00097 -0.00097 0.01695 -0.02031 88 9D-1 -0.00097 0.00097 0.00000 -0.01695 0.01123 89 9D+2 -0.00548 0.01096 -0.00548 0.00000 0.00917 90 9D-2 0.00097 0.00000 -0.00097 -0.01695 0.02031 91 5 C 1S 0.00000 0.00000 0.00000 0.01152 -0.01352 92 2S 0.00000 0.00000 0.00000 0.02848 -0.02310 93 3S 0.00000 0.00000 0.00000 -0.08695 -0.09878 94 4S 0.00000 0.00000 0.00000 0.51172 1.55679 95 5S 0.00000 0.00000 0.00000 -0.15380 -1.35535 96 6PX 0.06273 0.06273 0.00000 0.01665 -0.02945 97 6PY 0.00000 0.06273 0.06273 -0.01665 -0.00151 98 6PZ 0.06273 0.00000 -0.06273 -0.01665 -0.00151 99 7PX 0.25476 0.25476 0.00000 0.08743 -0.00563 100 7PY 0.00000 0.25476 0.25476 -0.08743 -0.16328 101 7PZ 0.25476 0.00000 -0.25476 -0.08743 -0.16328 102 8PX -0.62593 -0.62593 0.00000 0.61160 1.12280 103 8PY 0.00000 -0.62593 -0.62593 -0.61160 -0.76837 104 8PZ -0.62593 0.00000 0.62593 -0.61160 -0.76837 105 9D 0 -0.00949 0.00000 0.00949 0.00000 0.00529 106 9D+1 0.00000 -0.00097 -0.00097 -0.01695 -0.02031 107 9D-1 -0.00097 -0.00097 0.00000 0.01695 0.01123 108 9D+2 0.00548 0.01096 0.00548 0.00000 -0.00917 109 9D-2 -0.00097 0.00000 0.00097 -0.01695 -0.02031 110 6 O 1S 0.00000 0.00000 0.00000 0.00250 0.00338 111 2S 0.00000 0.00000 0.00000 0.00804 0.00940 112 3S 0.00000 0.00000 0.00000 -0.04522 -0.03235 113 4S 0.00000 0.00000 0.00000 0.19184 0.10898 114 5S 0.00000 0.00000 0.00000 -1.21292 -1.35127 115 6PX -0.05386 -0.05386 0.00000 -0.06357 -0.05410 116 6PY 0.00000 0.05386 -0.05386 -0.06357 -0.03577 117 6PZ 0.05386 0.00000 0.05386 -0.06357 -0.03577 118 7PX -0.06929 -0.06929 0.00000 -0.09024 -0.04560 119 7PY 0.00000 0.06929 -0.06929 -0.09024 -0.02720 120 7PZ 0.06929 0.00000 0.06929 -0.09024 -0.02720 121 8PX 0.04707 0.04707 0.00000 0.35723 0.41004 122 8PY 0.00000 -0.04707 0.04707 0.35723 0.39793 123 8PZ -0.04707 0.00000 -0.04707 0.35723 0.39793 124 9D 0 -0.00543 0.00000 -0.00543 0.00000 -0.00068 125 9D+1 0.00000 0.00379 -0.00379 0.00108 0.00291 126 9D-1 -0.00379 -0.00379 0.00000 0.00108 -0.00050 127 9D+2 0.00314 0.00627 -0.00314 0.00000 0.00118 128 9D-2 0.00379 0.00000 0.00379 0.00108 0.00291 129 7 O 1S 0.00000 0.00000 0.00000 0.00250 -0.00338 130 2S 0.00000 0.00000 0.00000 0.00804 -0.00940 131 3S 0.00000 0.00000 0.00000 -0.04522 0.03235 132 4S 0.00000 0.00000 0.00000 0.19184 -0.10898 133 5S 0.00000 0.00000 0.00000 -1.21292 1.35127 134 6PX 0.05386 -0.05386 0.00000 0.06357 -0.05410 135 6PY 0.00000 -0.05386 0.05386 -0.06357 0.03577 136 6PZ -0.05386 0.00000 0.05386 0.06357 -0.03577 137 7PX 0.06929 -0.06929 0.00000 0.09024 -0.04560 138 7PY 0.00000 -0.06929 0.06929 -0.09024 0.02720 139 7PZ -0.06929 0.00000 0.06929 0.09024 -0.02720 140 8PX -0.04707 0.04707 0.00000 -0.35723 0.41004 141 8PY 0.00000 0.04707 -0.04707 0.35723 -0.39793 142 8PZ 0.04707 0.00000 -0.04707 -0.35723 0.39793 143 9D 0 -0.00543 0.00000 0.00543 0.00000 0.00068 144 9D+1 0.00000 -0.00379 0.00379 0.00108 -0.00291 145 9D-1 0.00379 -0.00379 0.00000 -0.00108 -0.00050 146 9D+2 0.00314 -0.00627 0.00314 0.00000 -0.00118 147 9D-2 -0.00379 0.00000 0.00379 -0.00108 0.00291 148 8 O 1S 0.00000 0.00000 0.00000 0.00250 0.00338 149 2S 0.00000 0.00000 0.00000 0.00804 0.00940 150 3S 0.00000 0.00000 0.00000 -0.04522 -0.03235 151 4S 0.00000 0.00000 0.00000 0.19184 0.10898 152 5S 0.00000 0.00000 0.00000 -1.21292 -1.35127 153 6PX 0.05386 0.05386 0.00000 -0.06357 -0.05410 154 6PY 0.00000 0.05386 0.05386 0.06357 0.03577 155 6PZ 0.05386 0.00000 -0.05386 0.06357 0.03577 156 7PX 0.06929 0.06929 0.00000 -0.09024 -0.04560 157 7PY 0.00000 0.06929 0.06929 0.09024 0.02720 158 7PZ 0.06929 0.00000 -0.06929 0.09024 0.02720 159 8PX -0.04707 -0.04707 0.00000 0.35723 0.41004 160 8PY 0.00000 -0.04707 -0.04707 -0.35723 -0.39793 161 8PZ -0.04707 0.00000 0.04707 -0.35723 -0.39793 162 9D 0 0.00543 0.00000 -0.00543 0.00000 -0.00068 163 9D+1 0.00000 0.00379 0.00379 -0.00108 -0.00291 164 9D-1 0.00379 0.00379 0.00000 0.00108 -0.00050 165 9D+2 -0.00314 -0.00627 -0.00314 0.00000 0.00118 166 9D-2 0.00379 0.00000 -0.00379 -0.00108 -0.00291 167 9 O 1S 0.00000 0.00000 0.00000 0.00250 -0.00338 168 2S 0.00000 0.00000 0.00000 0.00804 -0.00940 169 3S 0.00000 0.00000 0.00000 -0.04522 0.03235 170 4S 0.00000 0.00000 0.00000 0.19184 -0.10898 171 5S 0.00000 0.00000 0.00000 -1.21292 1.35127 172 6PX -0.05386 0.05386 0.00000 0.06357 -0.05410 173 6PY 0.00000 -0.05386 -0.05386 0.06357 -0.03577 174 6PZ -0.05386 0.00000 -0.05386 -0.06357 0.03577 175 7PX -0.06929 0.06929 0.00000 0.09024 -0.04560 176 7PY 0.00000 -0.06929 -0.06929 0.09024 -0.02720 177 7PZ -0.06929 0.00000 -0.06929 -0.09024 0.02720 178 8PX 0.04707 -0.04707 0.00000 -0.35723 0.41004 179 8PY 0.00000 0.04707 0.04707 -0.35723 0.39793 180 8PZ 0.04707 0.00000 0.04707 0.35723 -0.39793 181 9D 0 0.00543 0.00000 0.00543 0.00000 0.00068 182 9D+1 0.00000 -0.00379 -0.00379 -0.00108 0.00291 183 9D-1 -0.00379 0.00379 0.00000 -0.00108 -0.00050 184 9D+2 -0.00314 0.00627 0.00314 0.00000 -0.00118 185 9D-2 -0.00379 0.00000 -0.00379 0.00108 -0.00291 66 67 68 69 70 (T2)--V (T2)--V (A1)--V (T2)--V (T2)--V Eigenvalues -- 0.31668 0.31668 0.32531 0.37118 0.37118 1 1 Ni 1S 0.00000 0.00000 0.00303 0.00000 0.00000 2 2S 0.00000 0.00000 -0.00685 0.00000 0.00000 3 3S 0.00000 0.00000 0.02819 0.00000 0.00000 4 4S 0.00000 0.00000 -0.00388 0.00000 0.00000 5 5S 0.00000 0.00000 1.03935 0.00000 0.00000 6 6S 0.00000 0.00000 8.15497 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.07789 0.00000 8 7PY 0.02962 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.02962 0.00000 0.00000 0.07789 10 8PX 0.00000 0.00000 0.00000 -0.21548 0.00000 11 8PY -0.08079 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 -0.08079 0.00000 0.00000 -0.21548 13 9PX 0.00000 0.00000 0.00000 -0.10958 0.00000 14 9PY -0.04941 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 -0.04941 0.00000 0.00000 -0.10958 16 10PX 0.00000 0.00000 0.00000 1.68256 0.00000 17 10PY 1.60910 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 1.60910 0.00000 0.00000 1.68256 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 -0.00209 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.11642 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.00209 0.00000 0.00000 0.11642 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 -0.00997 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.06327 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 -0.00997 0.00000 0.00000 0.06327 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.08382 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.02972 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.08382 0.00000 0.00000 0.02972 34 2 C 1S -0.01352 -0.01352 -0.02478 0.02378 0.02378 35 2S -0.02310 -0.02310 -0.04985 0.04948 0.04948 36 3S -0.09878 -0.09878 -0.02751 -0.01368 -0.01368 37 4S 1.55679 1.55679 1.17573 -0.69285 -0.69285 38 5S -1.35535 -1.35535 -4.49968 0.26492 0.26492 39 6PX 0.00151 0.00151 -0.05246 -0.07041 0.05722 40 6PY -0.02945 0.00151 -0.05246 0.05722 0.05722 41 6PZ 0.00151 -0.02945 -0.05246 0.05722 -0.07041 42 7PX 0.16328 0.16328 -0.11721 0.03740 0.09874 43 7PY -0.00563 0.16328 -0.11721 0.09874 0.09874 44 7PZ 0.16328 -0.00563 -0.11721 0.09874 0.03740 45 8PX 0.76837 0.76837 0.37576 -0.11668 0.18778 46 8PY 1.12280 0.76837 0.37576 0.18778 0.18778 47 8PZ 0.76837 1.12280 0.37576 0.18778 -0.11668 48 9D 0 0.00529 -0.01059 0.00000 0.00785 -0.01570 49 9D+1 0.01123 0.02031 0.01266 0.00556 0.00556 50 9D-1 0.02031 0.02031 0.01266 0.01928 0.00556 51 9D+2 0.00917 0.00000 0.00000 -0.01360 0.00000 52 9D-2 0.02031 0.01123 0.01266 0.00556 0.01928 53 3 C 1S 0.01352 -0.01352 -0.02478 -0.02378 0.02378 54 2S 0.02310 -0.02310 -0.04985 -0.04948 0.04948 55 3S 0.09878 -0.09878 -0.02751 0.01368 -0.01368 56 4S -1.55679 1.55679 1.17573 0.69285 -0.69285 57 5S 1.35535 -1.35535 -4.49968 -0.26492 0.26492 58 6PX 0.00151 -0.00151 0.05246 -0.07041 -0.05722 59 6PY -0.02945 -0.00151 0.05246 0.05722 -0.05722 60 6PZ -0.00151 -0.02945 -0.05246 -0.05722 -0.07041 61 7PX 0.16328 -0.16328 0.11721 0.03740 -0.09874 62 7PY -0.00563 -0.16328 0.11721 0.09874 -0.09874 63 7PZ -0.16328 -0.00563 -0.11721 -0.09874 0.03740 64 8PX 0.76837 -0.76837 -0.37576 -0.11668 -0.18778 65 8PY 1.12280 -0.76837 -0.37576 0.18778 -0.18778 66 8PZ -0.76837 1.12280 0.37576 -0.18778 -0.11668 67 9D 0 -0.00529 -0.01059 0.00000 -0.00785 -0.01570 68 9D+1 0.01123 -0.02031 -0.01266 0.00556 -0.00556 69 9D-1 0.02031 -0.02031 -0.01266 0.01928 -0.00556 70 9D+2 -0.00917 0.00000 0.00000 0.01360 0.00000 71 9D-2 -0.02031 0.01123 0.01266 -0.00556 0.01928 72 4 C 1S -0.01352 0.01352 -0.02478 -0.02378 -0.02378 73 2S -0.02310 0.02310 -0.04985 -0.04948 -0.04948 74 3S -0.09878 0.09878 -0.02751 0.01368 0.01368 75 4S 1.55679 -1.55679 1.17573 0.69285 0.69285 76 5S -1.35535 1.35535 -4.49968 -0.26492 -0.26492 77 6PX -0.00151 0.00151 0.05246 -0.07041 0.05722 78 6PY -0.02945 -0.00151 -0.05246 -0.05722 -0.05722 79 6PZ -0.00151 -0.02945 0.05246 0.05722 -0.07041 80 7PX -0.16328 0.16328 0.11721 0.03740 0.09874 81 7PY -0.00563 -0.16328 -0.11721 -0.09874 -0.09874 82 7PZ -0.16328 -0.00563 0.11721 0.09874 0.03740 83 8PX -0.76837 0.76837 -0.37576 -0.11668 0.18778 84 8PY 1.12280 -0.76837 0.37576 -0.18778 -0.18778 85 8PZ -0.76837 1.12280 -0.37576 0.18778 -0.11668 86 9D 0 0.00529 0.01059 0.00000 -0.00785 0.01570 87 9D+1 0.01123 -0.02031 0.01266 -0.00556 -0.00556 88 9D-1 -0.02031 0.02031 -0.01266 0.01928 0.00556 89 9D+2 0.00917 0.00000 0.00000 0.01360 0.00000 90 9D-2 -0.02031 0.01123 -0.01266 0.00556 0.01928 91 5 C 1S 0.01352 0.01352 -0.02478 0.02378 -0.02378 92 2S 0.02310 0.02310 -0.04985 0.04948 -0.04948 93 3S 0.09878 0.09878 -0.02751 -0.01368 0.01368 94 4S -1.55679 -1.55679 1.17573 -0.69285 0.69285 95 5S 1.35535 1.35535 -4.49968 0.26492 -0.26492 96 6PX -0.00151 -0.00151 -0.05246 -0.07041 -0.05722 97 6PY -0.02945 0.00151 0.05246 -0.05722 0.05722 98 6PZ 0.00151 -0.02945 0.05246 -0.05722 -0.07041 99 7PX -0.16328 -0.16328 -0.11721 0.03740 -0.09874 100 7PY -0.00563 0.16328 0.11721 -0.09874 0.09874 101 7PZ 0.16328 -0.00563 0.11721 -0.09874 0.03740 102 8PX -0.76837 -0.76837 0.37576 -0.11668 -0.18778 103 8PY 1.12280 0.76837 -0.37576 -0.18778 0.18778 104 8PZ 0.76837 1.12280 -0.37576 -0.18778 -0.11668 105 9D 0 -0.00529 0.01059 0.00000 0.00785 0.01570 106 9D+1 0.01123 0.02031 -0.01266 -0.00556 0.00556 107 9D-1 -0.02031 -0.02031 0.01266 0.01928 -0.00556 108 9D+2 -0.00917 0.00000 0.00000 -0.01360 0.00000 109 9D-2 0.02031 0.01123 -0.01266 -0.00556 0.01928 110 6 O 1S 0.00338 0.00338 -0.00789 -0.00615 -0.00615 111 2S 0.00940 0.00940 -0.02048 -0.01456 -0.01456 112 3S -0.03235 -0.03235 0.05736 0.01697 0.01697 113 4S 0.10898 0.10898 -0.06459 0.11200 0.11200 114 5S -1.35127 -1.35127 0.66578 -0.17926 -0.17926 115 6PX -0.03577 -0.03577 0.00547 0.04966 -0.07562 116 6PY -0.05410 -0.03577 0.00547 -0.07562 -0.07562 117 6PZ -0.03577 -0.05410 0.00547 -0.07562 0.04966 118 7PX -0.02720 -0.02720 0.03348 0.09252 -0.09375 119 7PY -0.04560 -0.02720 0.03348 -0.09375 -0.09375 120 7PZ -0.02720 -0.04560 0.03348 -0.09375 0.09252 121 8PX 0.39793 0.39793 -0.17128 -0.11447 0.03567 122 8PY 0.41004 0.39793 -0.17128 0.03567 0.03567 123 8PZ 0.39793 0.41004 -0.17128 0.03567 -0.11447 124 9D 0 -0.00068 0.00136 0.00000 -0.00216 0.00432 125 9D+1 -0.00050 0.00291 0.00004 -0.00154 -0.00154 126 9D-1 0.00291 0.00291 0.00004 -0.00514 -0.00154 127 9D+2 -0.00118 0.00000 0.00000 0.00374 0.00000 128 9D-2 0.00291 -0.00050 0.00004 -0.00154 -0.00514 129 7 O 1S 0.00338 -0.00338 -0.00789 0.00615 0.00615 130 2S 0.00940 -0.00940 -0.02048 0.01456 0.01456 131 3S -0.03235 0.03235 0.05736 -0.01697 -0.01697 132 4S 0.10898 -0.10898 -0.06459 -0.11200 -0.11200 133 5S -1.35127 1.35127 0.66578 0.17926 0.17926 134 6PX 0.03577 -0.03577 -0.00547 0.04966 -0.07562 135 6PY -0.05410 0.03577 0.00547 0.07562 0.07562 136 6PZ 0.03577 -0.05410 -0.00547 -0.07562 0.04966 137 7PX 0.02720 -0.02720 -0.03348 0.09252 -0.09375 138 7PY -0.04560 0.02720 0.03348 0.09375 0.09375 139 7PZ 0.02720 -0.04560 -0.03348 -0.09375 0.09252 140 8PX -0.39793 0.39793 0.17128 -0.11447 0.03567 141 8PY 0.41004 -0.39793 -0.17128 -0.03567 -0.03567 142 8PZ -0.39793 0.41004 0.17128 0.03567 -0.11447 143 9D 0 -0.00068 -0.00136 0.00000 0.00216 -0.00432 144 9D+1 -0.00050 -0.00291 0.00004 0.00154 0.00154 145 9D-1 -0.00291 0.00291 -0.00004 -0.00514 -0.00154 146 9D+2 -0.00118 0.00000 0.00000 -0.00374 0.00000 147 9D-2 -0.00291 -0.00050 -0.00004 -0.00154 -0.00514 148 8 O 1S -0.00338 -0.00338 -0.00789 -0.00615 0.00615 149 2S -0.00940 -0.00940 -0.02048 -0.01456 0.01456 150 3S 0.03235 0.03235 0.05736 0.01697 -0.01697 151 4S -0.10898 -0.10898 -0.06459 0.11200 -0.11200 152 5S 1.35127 1.35127 0.66578 -0.17926 0.17926 153 6PX 0.03577 0.03577 0.00547 0.04966 0.07562 154 6PY -0.05410 -0.03577 -0.00547 0.07562 -0.07562 155 6PZ -0.03577 -0.05410 -0.00547 0.07562 0.04966 156 7PX 0.02720 0.02720 0.03348 0.09252 0.09375 157 7PY -0.04560 -0.02720 -0.03348 0.09375 -0.09375 158 7PZ -0.02720 -0.04560 -0.03348 0.09375 0.09252 159 8PX -0.39793 -0.39793 -0.17128 -0.11447 -0.03567 160 8PY 0.41004 0.39793 0.17128 -0.03567 0.03567 161 8PZ 0.39793 0.41004 0.17128 -0.03567 -0.11447 162 9D 0 0.00068 -0.00136 0.00000 -0.00216 -0.00432 163 9D+1 -0.00050 0.00291 -0.00004 0.00154 -0.00154 164 9D-1 -0.00291 -0.00291 0.00004 -0.00514 0.00154 165 9D+2 0.00118 0.00000 0.00000 0.00374 0.00000 166 9D-2 0.00291 -0.00050 -0.00004 0.00154 -0.00514 167 9 O 1S -0.00338 0.00338 -0.00789 0.00615 -0.00615 168 2S -0.00940 0.00940 -0.02048 0.01456 -0.01456 169 3S 0.03235 -0.03235 0.05736 -0.01697 0.01697 170 4S -0.10898 0.10898 -0.06459 -0.11200 0.11200 171 5S 1.35127 -1.35127 0.66578 0.17926 -0.17926 172 6PX -0.03577 0.03577 -0.00547 0.04966 0.07562 173 6PY -0.05410 0.03577 -0.00547 -0.07562 0.07562 174 6PZ 0.03577 -0.05410 0.00547 0.07562 0.04966 175 7PX -0.02720 0.02720 -0.03348 0.09252 0.09375 176 7PY -0.04560 0.02720 -0.03348 -0.09375 0.09375 177 7PZ 0.02720 -0.04560 0.03348 0.09375 0.09252 178 8PX 0.39793 -0.39793 0.17128 -0.11447 -0.03567 179 8PY 0.41004 -0.39793 0.17128 0.03567 -0.03567 180 8PZ -0.39793 0.41004 -0.17128 -0.03567 -0.11447 181 9D 0 0.00068 0.00136 0.00000 0.00216 0.00432 182 9D+1 -0.00050 -0.00291 -0.00004 -0.00154 0.00154 183 9D-1 0.00291 -0.00291 -0.00004 -0.00514 0.00154 184 9D+2 0.00118 0.00000 0.00000 -0.00374 0.00000 185 9D-2 -0.00291 -0.00050 0.00004 0.00154 -0.00514 71 72 73 74 75 (T2)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 0.37118 0.45390 0.48221 0.48221 0.48221 1 1 Ni 1S 0.00000 -0.01284 0.00000 0.00000 0.00000 2 2S 0.00000 0.04807 0.00000 0.00000 0.00000 3 3S 0.00000 -0.08746 0.00000 0.00000 0.00000 4 4S 0.00000 -0.21400 0.00000 0.00000 0.00000 5 5S 0.00000 2.48241 0.00000 0.00000 0.00000 6 6S 0.00000 -1.33644 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.03086 0.00000 0.00000 8 7PY 0.07789 0.00000 0.00000 0.00000 0.03086 9 7PZ 0.00000 0.00000 0.00000 0.03086 0.00000 10 8PX 0.00000 0.00000 -0.08620 0.00000 0.00000 11 8PY -0.21548 0.00000 0.00000 0.00000 -0.08620 12 8PZ 0.00000 0.00000 0.00000 -0.08620 0.00000 13 9PX 0.00000 0.00000 -0.03951 0.00000 0.00000 14 9PY -0.10958 0.00000 0.00000 0.00000 -0.03951 15 9PZ 0.00000 0.00000 0.00000 -0.03951 0.00000 16 10PX 0.00000 0.00000 1.71417 0.00000 0.00000 17 10PY 1.68256 0.00000 0.00000 0.00000 1.71417 18 10PZ 0.00000 0.00000 0.00000 1.71417 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.11642 0.00000 0.00000 0.00000 -0.02217 21 11D-1 0.00000 0.00000 -0.02217 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.02217 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.06327 0.00000 0.00000 0.00000 -0.01174 26 12D-1 0.00000 0.00000 -0.01174 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.01174 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.02972 0.00000 0.00000 0.00000 0.02106 31 13D-1 0.00000 0.00000 0.02106 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.02106 0.00000 34 2 C 1S 0.02378 0.01761 0.00905 0.00905 0.00905 35 2S 0.04948 0.03572 0.02025 0.02025 0.02025 36 3S -0.01368 0.05582 0.00051 0.00051 0.00051 37 4S -0.69285 -1.47034 -0.64987 -0.64987 -0.64987 38 5S 0.26492 0.54874 -1.18010 -1.18010 -1.18010 39 6PX 0.05722 -0.04817 -0.04290 -0.07667 -0.07667 40 6PY -0.07041 -0.04817 -0.07667 -0.07667 -0.04290 41 6PZ 0.05722 -0.04817 -0.07667 -0.04290 -0.07667 42 7PX 0.09874 -0.32235 -0.40054 -0.31110 -0.31110 43 7PY 0.03740 -0.32235 -0.31110 -0.31110 -0.40054 44 7PZ 0.09874 -0.32235 -0.31110 -0.40054 -0.31110 45 8PX 0.18778 0.48566 1.06562 0.97973 0.97973 46 8PY -0.11668 0.48566 0.97973 0.97973 1.06562 47 8PZ 0.18778 0.48566 0.97973 1.06562 0.97973 48 9D 0 0.00785 0.00000 0.00641 -0.01282 0.00641 49 9D+1 0.01928 -0.00548 0.00612 0.00612 -0.00799 50 9D-1 0.00556 -0.00548 -0.00799 0.00612 0.00612 51 9D+2 0.01360 0.00000 -0.01111 0.00000 0.01111 52 9D-2 0.00556 -0.00548 0.00612 -0.00799 0.00612 53 3 C 1S -0.02378 0.01761 -0.00905 0.00905 -0.00905 54 2S -0.04948 0.03572 -0.02025 0.02025 -0.02025 55 3S 0.01368 0.05582 -0.00051 0.00051 -0.00051 56 4S 0.69285 -1.47034 0.64987 -0.64987 0.64987 57 5S -0.26492 0.54874 1.18010 -1.18010 1.18010 58 6PX 0.05722 0.04817 -0.04290 0.07667 -0.07667 59 6PY -0.07041 0.04817 -0.07667 0.07667 -0.04290 60 6PZ -0.05722 -0.04817 0.07667 -0.04290 0.07667 61 7PX 0.09874 0.32235 -0.40054 0.31110 -0.31110 62 7PY 0.03740 0.32235 -0.31110 0.31110 -0.40054 63 7PZ -0.09874 -0.32235 0.31110 -0.40054 0.31110 64 8PX 0.18778 -0.48566 1.06562 -0.97973 0.97973 65 8PY -0.11668 -0.48566 0.97973 -0.97973 1.06562 66 8PZ -0.18778 0.48566 -0.97973 1.06562 -0.97973 67 9D 0 -0.00785 0.00000 -0.00641 -0.01282 -0.00641 68 9D+1 0.01928 0.00548 0.00612 -0.00612 -0.00799 69 9D-1 0.00556 0.00548 -0.00799 -0.00612 0.00612 70 9D+2 -0.01360 0.00000 0.01111 0.00000 -0.01111 71 9D-2 -0.00556 -0.00548 -0.00612 -0.00799 -0.00612 72 4 C 1S 0.02378 0.01761 -0.00905 -0.00905 0.00905 73 2S 0.04948 0.03572 -0.02025 -0.02025 0.02025 74 3S -0.01368 0.05582 -0.00051 -0.00051 0.00051 75 4S -0.69285 -1.47034 0.64987 0.64987 -0.64987 76 5S 0.26492 0.54874 1.18010 1.18010 -1.18010 77 6PX -0.05722 0.04817 -0.04290 -0.07667 0.07667 78 6PY -0.07041 -0.04817 0.07667 0.07667 -0.04290 79 6PZ -0.05722 0.04817 -0.07667 -0.04290 0.07667 80 7PX -0.09874 0.32235 -0.40054 -0.31110 0.31110 81 7PY 0.03740 -0.32235 0.31110 0.31110 -0.40054 82 7PZ -0.09874 0.32235 -0.31110 -0.40054 0.31110 83 8PX -0.18778 -0.48566 1.06562 0.97973 -0.97973 84 8PY -0.11668 0.48566 -0.97973 -0.97973 1.06562 85 8PZ -0.18778 -0.48566 0.97973 1.06562 -0.97973 86 9D 0 0.00785 0.00000 -0.00641 0.01282 0.00641 87 9D+1 0.01928 -0.00548 -0.00612 -0.00612 -0.00799 88 9D-1 -0.00556 0.00548 -0.00799 0.00612 -0.00612 89 9D+2 0.01360 0.00000 0.01111 0.00000 0.01111 90 9D-2 -0.00556 0.00548 0.00612 -0.00799 -0.00612 91 5 C 1S -0.02378 0.01761 0.00905 -0.00905 -0.00905 92 2S -0.04948 0.03572 0.02025 -0.02025 -0.02025 93 3S 0.01368 0.05582 0.00051 -0.00051 -0.00051 94 4S 0.69285 -1.47034 -0.64987 0.64987 0.64987 95 5S -0.26492 0.54874 -1.18010 1.18010 1.18010 96 6PX -0.05722 -0.04817 -0.04290 0.07667 0.07667 97 6PY -0.07041 0.04817 0.07667 -0.07667 -0.04290 98 6PZ 0.05722 0.04817 0.07667 -0.04290 -0.07667 99 7PX -0.09874 -0.32235 -0.40054 0.31110 0.31110 100 7PY 0.03740 0.32235 0.31110 -0.31110 -0.40054 101 7PZ 0.09874 0.32235 0.31110 -0.40054 -0.31110 102 8PX -0.18778 0.48566 1.06562 -0.97973 -0.97973 103 8PY -0.11668 -0.48566 -0.97973 0.97973 1.06562 104 8PZ 0.18778 -0.48566 -0.97973 1.06562 0.97973 105 9D 0 -0.00785 0.00000 0.00641 0.01282 -0.00641 106 9D+1 0.01928 0.00548 -0.00612 0.00612 -0.00799 107 9D-1 -0.00556 -0.00548 -0.00799 -0.00612 -0.00612 108 9D+2 -0.01360 0.00000 -0.01111 0.00000 -0.01111 109 9D-2 0.00556 0.00548 -0.00612 -0.00799 0.00612 110 6 O 1S -0.00615 -0.00583 -0.00892 -0.00892 -0.00892 111 2S -0.01456 -0.01219 -0.01953 -0.01953 -0.01953 112 3S 0.01697 -0.01680 -0.00711 -0.00711 -0.00711 113 4S 0.11200 0.21496 0.28014 0.28014 0.28014 114 5S -0.17926 0.31874 -0.00888 -0.00888 -0.00888 115 6PX -0.07562 -0.01015 -0.05543 0.00116 0.00116 116 6PY 0.04966 -0.01015 0.00116 0.00116 -0.05543 117 6PZ -0.07562 -0.01015 0.00116 -0.05543 0.00116 118 7PX -0.09375 -0.03263 -0.09448 0.01431 0.01431 119 7PY 0.09252 -0.03263 0.01431 0.01431 -0.09448 120 7PZ -0.09375 -0.03263 0.01431 -0.09448 0.01431 121 8PX 0.03567 -0.59556 -0.41417 -0.65473 -0.65473 122 8PY -0.11447 -0.59556 -0.65473 -0.65473 -0.41417 123 8PZ 0.03567 -0.59556 -0.65473 -0.41417 -0.65473 124 9D 0 -0.00216 0.00000 -0.00033 0.00066 -0.00033 125 9D+1 -0.00514 -0.00824 -0.00728 -0.00728 -0.01082 126 9D-1 -0.00154 -0.00824 -0.01082 -0.00728 -0.00728 127 9D+2 -0.00374 0.00000 0.00057 0.00000 -0.00057 128 9D-2 -0.00154 -0.00824 -0.00728 -0.01082 -0.00728 129 7 O 1S -0.00615 -0.00583 0.00892 0.00892 -0.00892 130 2S -0.01456 -0.01219 0.01953 0.01953 -0.01953 131 3S 0.01697 -0.01680 0.00711 0.00711 -0.00711 132 4S 0.11200 0.21496 -0.28014 -0.28014 0.28014 133 5S -0.17926 0.31874 0.00888 0.00888 -0.00888 134 6PX 0.07562 0.01015 -0.05543 0.00116 -0.00116 135 6PY 0.04966 -0.01015 -0.00116 -0.00116 -0.05543 136 6PZ 0.07562 0.01015 0.00116 -0.05543 -0.00116 137 7PX 0.09375 0.03263 -0.09448 0.01431 -0.01431 138 7PY 0.09252 -0.03263 -0.01431 -0.01431 -0.09448 139 7PZ 0.09375 0.03263 0.01431 -0.09448 -0.01431 140 8PX -0.03567 0.59556 -0.41417 -0.65473 0.65473 141 8PY -0.11447 -0.59556 0.65473 0.65473 -0.41417 142 8PZ -0.03567 0.59556 -0.65473 -0.41417 0.65473 143 9D 0 -0.00216 0.00000 0.00033 -0.00066 -0.00033 144 9D+1 -0.00514 -0.00824 0.00728 0.00728 -0.01082 145 9D-1 0.00154 0.00824 -0.01082 -0.00728 0.00728 146 9D+2 -0.00374 0.00000 -0.00057 0.00000 -0.00057 147 9D-2 0.00154 0.00824 -0.00728 -0.01082 0.00728 148 8 O 1S 0.00615 -0.00583 -0.00892 0.00892 0.00892 149 2S 0.01456 -0.01219 -0.01953 0.01953 0.01953 150 3S -0.01697 -0.01680 -0.00711 0.00711 0.00711 151 4S -0.11200 0.21496 0.28014 -0.28014 -0.28014 152 5S 0.17926 0.31874 -0.00888 0.00888 0.00888 153 6PX 0.07562 -0.01015 -0.05543 -0.00116 -0.00116 154 6PY 0.04966 0.01015 -0.00116 0.00116 -0.05543 155 6PZ -0.07562 0.01015 -0.00116 -0.05543 0.00116 156 7PX 0.09375 -0.03263 -0.09448 -0.01431 -0.01431 157 7PY 0.09252 0.03263 -0.01431 0.01431 -0.09448 158 7PZ -0.09375 0.03263 -0.01431 -0.09448 0.01431 159 8PX -0.03567 -0.59556 -0.41417 0.65473 0.65473 160 8PY -0.11447 0.59556 0.65473 -0.65473 -0.41417 161 8PZ 0.03567 0.59556 0.65473 -0.41417 -0.65473 162 9D 0 0.00216 0.00000 -0.00033 -0.00066 0.00033 163 9D+1 -0.00514 0.00824 0.00728 -0.00728 -0.01082 164 9D-1 0.00154 -0.00824 -0.01082 0.00728 0.00728 165 9D+2 0.00374 0.00000 0.00057 0.00000 0.00057 166 9D-2 -0.00154 0.00824 0.00728 -0.01082 -0.00728 167 9 O 1S 0.00615 -0.00583 0.00892 -0.00892 0.00892 168 2S 0.01456 -0.01219 0.01953 -0.01953 0.01953 169 3S -0.01697 -0.01680 0.00711 -0.00711 0.00711 170 4S -0.11200 0.21496 -0.28014 0.28014 -0.28014 171 5S 0.17926 0.31874 0.00888 -0.00888 0.00888 172 6PX -0.07562 0.01015 -0.05543 -0.00116 0.00116 173 6PY 0.04966 0.01015 0.00116 -0.00116 -0.05543 174 6PZ 0.07562 -0.01015 -0.00116 -0.05543 -0.00116 175 7PX -0.09375 0.03263 -0.09448 -0.01431 0.01431 176 7PY 0.09252 0.03263 0.01431 -0.01431 -0.09448 177 7PZ 0.09375 -0.03263 -0.01431 -0.09448 -0.01431 178 8PX 0.03567 0.59556 -0.41417 0.65473 -0.65473 179 8PY -0.11447 0.59556 -0.65473 0.65473 -0.41417 180 8PZ -0.03567 -0.59556 0.65473 -0.41417 0.65473 181 9D 0 0.00216 0.00000 0.00033 0.00066 0.00033 182 9D+1 -0.00514 0.00824 -0.00728 0.00728 -0.01082 183 9D-1 -0.00154 0.00824 -0.01082 0.00728 -0.00728 184 9D+2 0.00374 0.00000 -0.00057 0.00000 0.00057 185 9D-2 0.00154 -0.00824 0.00728 -0.01082 0.00728 76 77 78 79 80 (E)--V (E)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 0.51513 0.51513 0.54856 0.54856 0.54856 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.02864 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.02864 9 7PZ 0.00000 0.00000 0.00000 -0.02864 0.00000 10 8PX 0.00000 0.00000 0.07934 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.07934 12 8PZ 0.00000 0.00000 0.00000 0.07934 0.00000 13 9PX 0.00000 0.00000 0.05536 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.05536 15 9PZ 0.00000 0.00000 0.00000 0.05536 0.00000 16 10PX 0.00000 0.00000 -0.34594 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -0.34594 18 10PZ 0.00000 0.00000 0.00000 -0.34594 0.00000 19 11D 0 -0.03849 -0.05674 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.03089 21 11D-1 0.00000 0.00000 -0.03089 0.00000 0.00000 22 11D+2 -0.05674 0.03849 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.03089 0.00000 24 12D 0 -0.02240 -0.03301 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.01321 26 12D-1 0.00000 0.00000 -0.01321 0.00000 0.00000 27 12D+2 -0.03301 0.02240 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.01321 0.00000 29 13D 0 0.00511 0.00753 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00790 31 13D-1 0.00000 0.00000 0.00790 0.00000 0.00000 32 13D+2 0.00753 -0.00511 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00790 0.00000 34 2 C 1S 0.00000 0.00000 -0.01143 -0.01143 -0.01143 35 2S 0.00000 0.00000 -0.02199 -0.02199 -0.02199 36 3S 0.00000 0.00000 -0.02426 -0.02426 -0.02426 37 4S 0.00000 0.00000 0.57224 0.57224 0.57224 38 5S 0.00000 0.00000 -1.04629 -1.04629 -1.04629 39 6PX -0.03515 0.07257 -0.03007 -0.02843 -0.02843 40 6PY 0.08042 -0.00584 -0.02843 -0.02843 -0.03007 41 6PZ -0.04527 -0.06673 -0.02843 -0.03007 -0.02843 42 7PX -0.00611 0.01261 -0.19625 -0.17471 -0.17471 43 7PY 0.01398 -0.00102 -0.17471 -0.17471 -0.19625 44 7PZ -0.00787 -0.01160 -0.17471 -0.19625 -0.17471 45 8PX 0.16821 -0.34723 1.24612 0.25680 0.25680 46 8PY -0.38482 0.02794 0.25680 0.25680 1.24612 47 8PZ 0.21661 0.31929 0.25680 1.24612 0.25680 48 9D 0 0.00500 0.00737 -0.00659 0.01317 -0.00659 49 9D+1 -0.00721 0.00052 0.01117 0.01117 -0.02760 50 9D-1 0.00315 -0.00650 -0.02760 0.01117 0.01117 51 9D+2 0.00737 -0.00500 0.01141 0.00000 -0.01141 52 9D-2 0.00406 0.00598 0.01117 -0.02760 0.01117 53 3 C 1S 0.00000 0.00000 0.01143 -0.01143 0.01143 54 2S 0.00000 0.00000 0.02199 -0.02199 0.02199 55 3S 0.00000 0.00000 0.02426 -0.02426 0.02426 56 4S 0.00000 0.00000 -0.57224 0.57224 -0.57224 57 5S 0.00000 0.00000 1.04629 -1.04629 1.04629 58 6PX 0.03515 -0.07257 -0.03007 0.02843 -0.02843 59 6PY -0.08042 0.00584 -0.02843 0.02843 -0.03007 60 6PZ -0.04527 -0.06673 0.02843 -0.03007 0.02843 61 7PX 0.00611 -0.01261 -0.19625 0.17471 -0.17471 62 7PY -0.01398 0.00102 -0.17471 0.17471 -0.19625 63 7PZ -0.00787 -0.01160 0.17471 -0.19625 0.17471 64 8PX -0.16821 0.34723 1.24612 -0.25680 0.25680 65 8PY 0.38482 -0.02794 0.25680 -0.25680 1.24612 66 8PZ 0.21661 0.31929 -0.25680 1.24612 -0.25680 67 9D 0 0.00500 0.00737 0.00659 0.01317 0.00659 68 9D+1 0.00721 -0.00052 0.01117 -0.01117 -0.02760 69 9D-1 -0.00315 0.00650 -0.02760 -0.01117 0.01117 70 9D+2 0.00737 -0.00500 -0.01141 0.00000 0.01141 71 9D-2 0.00406 0.00598 -0.01117 -0.02760 -0.01117 72 4 C 1S 0.00000 0.00000 0.01143 0.01143 -0.01143 73 2S 0.00000 0.00000 0.02199 0.02199 -0.02199 74 3S 0.00000 0.00000 0.02426 0.02426 -0.02426 75 4S 0.00000 0.00000 -0.57224 -0.57224 0.57224 76 5S 0.00000 0.00000 1.04629 1.04629 -1.04629 77 6PX 0.03515 -0.07257 -0.03007 -0.02843 0.02843 78 6PY 0.08042 -0.00584 0.02843 0.02843 -0.03007 79 6PZ 0.04527 0.06673 -0.02843 -0.03007 0.02843 80 7PX 0.00611 -0.01261 -0.19625 -0.17471 0.17471 81 7PY 0.01398 -0.00102 0.17471 0.17471 -0.19625 82 7PZ 0.00787 0.01160 -0.17471 -0.19625 0.17471 83 8PX -0.16821 0.34723 1.24612 0.25680 -0.25680 84 8PY -0.38482 0.02794 -0.25680 -0.25680 1.24612 85 8PZ -0.21661 -0.31929 0.25680 1.24612 -0.25680 86 9D 0 0.00500 0.00737 0.00659 -0.01317 -0.00659 87 9D+1 -0.00721 0.00052 -0.01117 -0.01117 -0.02760 88 9D-1 -0.00315 0.00650 -0.02760 0.01117 -0.01117 89 9D+2 0.00737 -0.00500 -0.01141 0.00000 -0.01141 90 9D-2 -0.00406 -0.00598 0.01117 -0.02760 -0.01117 91 5 C 1S 0.00000 0.00000 -0.01143 0.01143 0.01143 92 2S 0.00000 0.00000 -0.02199 0.02199 0.02199 93 3S 0.00000 0.00000 -0.02426 0.02426 0.02426 94 4S 0.00000 0.00000 0.57224 -0.57224 -0.57224 95 5S 0.00000 0.00000 -1.04629 1.04629 1.04629 96 6PX -0.03515 0.07257 -0.03007 0.02843 0.02843 97 6PY -0.08042 0.00584 0.02843 -0.02843 -0.03007 98 6PZ 0.04527 0.06673 0.02843 -0.03007 -0.02843 99 7PX -0.00611 0.01261 -0.19625 0.17471 0.17471 100 7PY -0.01398 0.00102 0.17471 -0.17471 -0.19625 101 7PZ 0.00787 0.01160 0.17471 -0.19625 -0.17471 102 8PX 0.16821 -0.34723 1.24612 -0.25680 -0.25680 103 8PY 0.38482 -0.02794 -0.25680 0.25680 1.24612 104 8PZ -0.21661 -0.31929 -0.25680 1.24612 0.25680 105 9D 0 0.00500 0.00737 -0.00659 -0.01317 0.00659 106 9D+1 0.00721 -0.00052 -0.01117 0.01117 -0.02760 107 9D-1 0.00315 -0.00650 -0.02760 -0.01117 -0.01117 108 9D+2 0.00737 -0.00500 0.01141 0.00000 0.01141 109 9D-2 -0.00406 -0.00598 -0.01117 -0.02760 0.01117 110 6 O 1S 0.00000 0.00000 -0.00247 -0.00247 -0.00247 111 2S 0.00000 0.00000 -0.00436 -0.00436 -0.00436 112 3S 0.00000 0.00000 -0.02033 -0.02033 -0.02033 113 4S 0.00000 0.00000 0.17238 0.17238 0.17238 114 5S 0.00000 0.00000 -0.30563 -0.30563 -0.30563 115 6PX 0.05421 -0.11191 0.09654 -0.03522 -0.03522 116 6PY -0.12403 0.00901 -0.03522 -0.03522 0.09654 117 6PZ 0.06981 0.10291 -0.03522 0.09654 -0.03522 118 7PX 0.12201 -0.25187 0.26290 -0.11425 -0.11425 119 7PY -0.27913 0.02027 -0.11425 -0.11425 0.26290 120 7PZ 0.15712 0.23160 -0.11425 0.26290 -0.11425 121 8PX -0.29993 0.61915 -0.91862 0.22455 0.22455 122 8PY 0.68617 -0.04983 0.22455 0.22455 -0.91862 123 8PZ -0.38623 -0.56932 0.22455 -0.91862 0.22455 124 9D 0 -0.00248 -0.00365 0.00700 -0.01400 0.00700 125 9D+1 -0.00376 0.00027 -0.00350 -0.00350 0.00576 126 9D-1 0.00165 -0.00340 0.00576 -0.00350 -0.00350 127 9D+2 -0.00365 0.00248 -0.01213 0.00000 0.01213 128 9D-2 0.00212 0.00312 -0.00350 0.00576 -0.00350 129 7 O 1S 0.00000 0.00000 0.00247 0.00247 -0.00247 130 2S 0.00000 0.00000 0.00436 0.00436 -0.00436 131 3S 0.00000 0.00000 0.02033 0.02033 -0.02033 132 4S 0.00000 0.00000 -0.17238 -0.17238 0.17238 133 5S 0.00000 0.00000 0.30563 0.30563 -0.30563 134 6PX -0.05421 0.11191 0.09654 -0.03522 0.03522 135 6PY -0.12403 0.00901 0.03522 0.03522 0.09654 136 6PZ -0.06981 -0.10291 -0.03522 0.09654 0.03522 137 7PX -0.12201 0.25187 0.26290 -0.11425 0.11425 138 7PY -0.27913 0.02027 0.11425 0.11425 0.26290 139 7PZ -0.15712 -0.23160 -0.11425 0.26290 0.11425 140 8PX 0.29993 -0.61915 -0.91862 0.22455 -0.22455 141 8PY 0.68617 -0.04983 -0.22455 -0.22455 -0.91862 142 8PZ 0.38623 0.56932 0.22455 -0.91862 -0.22455 143 9D 0 -0.00248 -0.00365 -0.00700 0.01400 0.00700 144 9D+1 -0.00376 0.00027 0.00350 0.00350 0.00576 145 9D-1 -0.00165 0.00340 0.00576 -0.00350 0.00350 146 9D+2 -0.00365 0.00248 0.01213 0.00000 0.01213 147 9D-2 -0.00212 -0.00312 -0.00350 0.00576 0.00350 148 8 O 1S 0.00000 0.00000 -0.00247 0.00247 0.00247 149 2S 0.00000 0.00000 -0.00436 0.00436 0.00436 150 3S 0.00000 0.00000 -0.02033 0.02033 0.02033 151 4S 0.00000 0.00000 0.17238 -0.17238 -0.17238 152 5S 0.00000 0.00000 -0.30563 0.30563 0.30563 153 6PX 0.05421 -0.11191 0.09654 0.03522 0.03522 154 6PY 0.12403 -0.00901 0.03522 -0.03522 0.09654 155 6PZ -0.06981 -0.10291 0.03522 0.09654 -0.03522 156 7PX 0.12201 -0.25187 0.26290 0.11425 0.11425 157 7PY 0.27913 -0.02027 0.11425 -0.11425 0.26290 158 7PZ -0.15712 -0.23160 0.11425 0.26290 -0.11425 159 8PX -0.29993 0.61915 -0.91862 -0.22455 -0.22455 160 8PY -0.68617 0.04983 -0.22455 0.22455 -0.91862 161 8PZ 0.38623 0.56932 -0.22455 -0.91862 0.22455 162 9D 0 -0.00248 -0.00365 0.00700 0.01400 -0.00700 163 9D+1 0.00376 -0.00027 0.00350 -0.00350 0.00576 164 9D-1 0.00165 -0.00340 0.00576 0.00350 0.00350 165 9D+2 -0.00365 0.00248 -0.01213 0.00000 -0.01213 166 9D-2 -0.00212 -0.00312 0.00350 0.00576 -0.00350 167 9 O 1S 0.00000 0.00000 0.00247 -0.00247 0.00247 168 2S 0.00000 0.00000 0.00436 -0.00436 0.00436 169 3S 0.00000 0.00000 0.02033 -0.02033 0.02033 170 4S 0.00000 0.00000 -0.17238 0.17238 -0.17238 171 5S 0.00000 0.00000 0.30563 -0.30563 0.30563 172 6PX -0.05421 0.11191 0.09654 0.03522 -0.03522 173 6PY 0.12403 -0.00901 -0.03522 0.03522 0.09654 174 6PZ 0.06981 0.10291 0.03522 0.09654 0.03522 175 7PX -0.12201 0.25187 0.26290 0.11425 -0.11425 176 7PY 0.27913 -0.02027 -0.11425 0.11425 0.26290 177 7PZ 0.15712 0.23160 0.11425 0.26290 0.11425 178 8PX 0.29993 -0.61915 -0.91862 -0.22455 0.22455 179 8PY -0.68617 0.04983 0.22455 -0.22455 -0.91862 180 8PZ -0.38623 -0.56932 -0.22455 -0.91862 -0.22455 181 9D 0 -0.00248 -0.00365 -0.00700 -0.01400 -0.00700 182 9D+1 0.00376 -0.00027 -0.00350 0.00350 0.00576 183 9D-1 -0.00165 0.00340 0.00576 0.00350 -0.00350 184 9D+2 -0.00365 0.00248 0.01213 0.00000 -0.01213 185 9D-2 0.00212 0.00312 0.00350 0.00576 0.00350 81 82 83 84 85 (T1)--V (T1)--V (T1)--V (T2)--V (T2)--V Eigenvalues -- 0.62339 0.62339 0.62339 0.67900 0.67900 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.00179 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00179 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.00629 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00629 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.10779 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.10779 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -1.33849 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -1.33849 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.19422 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 -0.19422 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.13880 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 -0.13880 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.20530 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.20530 34 2 C 1S 0.00000 0.00000 0.00000 0.01170 0.01170 35 2S 0.00000 0.00000 0.00000 0.02352 0.02352 36 3S 0.00000 0.00000 0.00000 0.12449 0.12449 37 4S 0.00000 0.00000 0.00000 -0.71777 -0.71777 38 5S 0.00000 0.00000 0.00000 1.57824 1.57824 39 6PX -0.06878 -0.06878 0.00000 -0.10477 -0.10477 40 6PY 0.00000 0.06878 -0.06878 -0.05970 -0.10477 41 6PZ 0.06878 0.00000 0.06878 -0.10477 -0.05970 42 7PX -0.09550 -0.09550 0.00000 -0.25103 -0.25103 43 7PY 0.00000 0.09550 -0.09550 -0.15092 -0.25103 44 7PZ 0.09550 0.00000 0.09550 -0.25103 -0.15092 45 8PX 0.86921 0.86921 0.00000 -0.19421 -0.19421 46 8PY 0.00000 -0.86921 0.86921 -0.29109 -0.19421 47 8PZ -0.86921 0.00000 -0.86921 -0.19421 -0.29109 48 9D 0 -0.00108 0.00000 -0.00108 -0.01631 0.03262 49 9D+1 0.00000 0.01439 -0.01439 0.01982 0.00852 50 9D-1 -0.01439 -0.01439 0.00000 0.00852 0.00852 51 9D+2 0.00062 0.00124 -0.00062 -0.02825 0.00000 52 9D-2 0.01439 0.00000 0.01439 0.00852 0.01982 53 3 C 1S 0.00000 0.00000 0.00000 -0.01170 0.01170 54 2S 0.00000 0.00000 0.00000 -0.02352 0.02352 55 3S 0.00000 0.00000 0.00000 -0.12449 0.12449 56 4S 0.00000 0.00000 0.00000 0.71777 -0.71777 57 5S 0.00000 0.00000 0.00000 -1.57824 1.57824 58 6PX -0.06878 0.06878 0.00000 -0.10477 0.10477 59 6PY 0.00000 -0.06878 -0.06878 -0.05970 0.10477 60 6PZ -0.06878 0.00000 -0.06878 0.10477 -0.05970 61 7PX -0.09550 0.09550 0.00000 -0.25103 0.25103 62 7PY 0.00000 -0.09550 -0.09550 -0.15092 0.25103 63 7PZ -0.09550 0.00000 -0.09550 0.25103 -0.15092 64 8PX 0.86921 -0.86921 0.00000 -0.19421 0.19421 65 8PY 0.00000 0.86921 0.86921 -0.29109 0.19421 66 8PZ 0.86921 0.00000 0.86921 0.19421 -0.29109 67 9D 0 0.00108 0.00000 0.00108 0.01631 0.03262 68 9D+1 0.00000 -0.01439 -0.01439 0.01982 -0.00852 69 9D-1 -0.01439 0.01439 0.00000 0.00852 -0.00852 70 9D+2 -0.00062 0.00124 0.00062 0.02825 0.00000 71 9D-2 -0.01439 0.00000 -0.01439 -0.00852 0.01982 72 4 C 1S 0.00000 0.00000 0.00000 0.01170 -0.01170 73 2S 0.00000 0.00000 0.00000 0.02352 -0.02352 74 3S 0.00000 0.00000 0.00000 0.12449 -0.12449 75 4S 0.00000 0.00000 0.00000 -0.71777 0.71777 76 5S 0.00000 0.00000 0.00000 1.57824 -1.57824 77 6PX 0.06878 -0.06878 0.00000 0.10477 -0.10477 78 6PY 0.00000 -0.06878 0.06878 -0.05970 0.10477 79 6PZ -0.06878 0.00000 0.06878 0.10477 -0.05970 80 7PX 0.09550 -0.09550 0.00000 0.25103 -0.25103 81 7PY 0.00000 -0.09550 0.09550 -0.15092 0.25103 82 7PZ -0.09550 0.00000 0.09550 0.25103 -0.15092 83 8PX -0.86921 0.86921 0.00000 0.19421 -0.19421 84 8PY 0.00000 0.86921 -0.86921 -0.29109 0.19421 85 8PZ 0.86921 0.00000 -0.86921 0.19421 -0.29109 86 9D 0 -0.00108 0.00000 0.00108 -0.01631 -0.03262 87 9D+1 0.00000 -0.01439 0.01439 0.01982 -0.00852 88 9D-1 0.01439 -0.01439 0.00000 -0.00852 0.00852 89 9D+2 0.00062 -0.00124 0.00062 -0.02825 0.00000 90 9D-2 -0.01439 0.00000 0.01439 -0.00852 0.01982 91 5 C 1S 0.00000 0.00000 0.00000 -0.01170 -0.01170 92 2S 0.00000 0.00000 0.00000 -0.02352 -0.02352 93 3S 0.00000 0.00000 0.00000 -0.12449 -0.12449 94 4S 0.00000 0.00000 0.00000 0.71777 0.71777 95 5S 0.00000 0.00000 0.00000 -1.57824 -1.57824 96 6PX 0.06878 0.06878 0.00000 0.10477 0.10477 97 6PY 0.00000 0.06878 0.06878 -0.05970 -0.10477 98 6PZ 0.06878 0.00000 -0.06878 -0.10477 -0.05970 99 7PX 0.09550 0.09550 0.00000 0.25103 0.25103 100 7PY 0.00000 0.09550 0.09550 -0.15092 -0.25103 101 7PZ 0.09550 0.00000 -0.09550 -0.25103 -0.15092 102 8PX -0.86921 -0.86921 0.00000 0.19421 0.19421 103 8PY 0.00000 -0.86921 -0.86921 -0.29109 -0.19421 104 8PZ -0.86921 0.00000 0.86921 -0.19421 -0.29109 105 9D 0 0.00108 0.00000 -0.00108 0.01631 -0.03262 106 9D+1 0.00000 0.01439 0.01439 0.01982 0.00852 107 9D-1 0.01439 0.01439 0.00000 -0.00852 -0.00852 108 9D+2 -0.00062 -0.00124 -0.00062 0.02825 0.00000 109 9D-2 0.01439 0.00000 -0.01439 0.00852 0.01982 110 6 O 1S 0.00000 0.00000 0.00000 -0.02366 -0.02366 111 2S 0.00000 0.00000 0.00000 -0.05299 -0.05299 112 3S 0.00000 0.00000 0.00000 -0.00684 -0.00684 113 4S 0.00000 0.00000 0.00000 0.88718 0.88718 114 5S 0.00000 0.00000 0.00000 -0.88921 -0.88921 115 6PX 0.09223 0.09223 0.00000 -0.07373 -0.07373 116 6PY 0.00000 -0.09223 0.09223 -0.08797 -0.07373 117 6PZ -0.09223 0.00000 -0.09223 -0.07373 -0.08797 118 7PX 0.25000 0.25000 0.00000 -0.17975 -0.17975 119 7PY 0.00000 -0.25000 0.25000 -0.20176 -0.17975 120 7PZ -0.25000 0.00000 -0.25000 -0.17975 -0.20176 121 8PX -0.78505 -0.78505 0.00000 0.24485 0.24485 122 8PY 0.00000 0.78505 -0.78505 0.24378 0.24485 123 8PZ 0.78505 0.00000 0.78505 0.24485 0.24378 124 9D 0 0.00912 0.00000 0.00912 0.00164 -0.00328 125 9D+1 0.00000 -0.00358 0.00358 0.00693 0.00056 126 9D-1 0.00358 0.00358 0.00000 0.00056 0.00056 127 9D+2 -0.00526 -0.01053 0.00526 0.00284 0.00000 128 9D-2 -0.00358 0.00000 -0.00358 0.00056 0.00693 129 7 O 1S 0.00000 0.00000 0.00000 -0.02366 0.02366 130 2S 0.00000 0.00000 0.00000 -0.05299 0.05299 131 3S 0.00000 0.00000 0.00000 -0.00684 0.00684 132 4S 0.00000 0.00000 0.00000 0.88718 -0.88718 133 5S 0.00000 0.00000 0.00000 -0.88921 0.88921 134 6PX -0.09223 0.09223 0.00000 0.07373 -0.07373 135 6PY 0.00000 0.09223 -0.09223 -0.08797 0.07373 136 6PZ 0.09223 0.00000 -0.09223 0.07373 -0.08797 137 7PX -0.25000 0.25000 0.00000 0.17975 -0.17975 138 7PY 0.00000 0.25000 -0.25000 -0.20176 0.17975 139 7PZ 0.25000 0.00000 -0.25000 0.17975 -0.20176 140 8PX 0.78505 -0.78505 0.00000 -0.24485 0.24485 141 8PY 0.00000 -0.78505 0.78505 0.24378 -0.24485 142 8PZ -0.78505 0.00000 0.78505 -0.24485 0.24378 143 9D 0 0.00912 0.00000 -0.00912 0.00164 0.00328 144 9D+1 0.00000 0.00358 -0.00358 0.00693 -0.00056 145 9D-1 -0.00358 0.00358 0.00000 -0.00056 0.00056 146 9D+2 -0.00526 0.01053 -0.00526 0.00284 0.00000 147 9D-2 0.00358 0.00000 -0.00358 -0.00056 0.00693 148 8 O 1S 0.00000 0.00000 0.00000 0.02366 0.02366 149 2S 0.00000 0.00000 0.00000 0.05299 0.05299 150 3S 0.00000 0.00000 0.00000 0.00684 0.00684 151 4S 0.00000 0.00000 0.00000 -0.88718 -0.88718 152 5S 0.00000 0.00000 0.00000 0.88921 0.88921 153 6PX -0.09223 -0.09223 0.00000 0.07373 0.07373 154 6PY 0.00000 -0.09223 -0.09223 -0.08797 -0.07373 155 6PZ -0.09223 0.00000 0.09223 -0.07373 -0.08797 156 7PX -0.25000 -0.25000 0.00000 0.17975 0.17975 157 7PY 0.00000 -0.25000 -0.25000 -0.20176 -0.17975 158 7PZ -0.25000 0.00000 0.25000 -0.17975 -0.20176 159 8PX 0.78505 0.78505 0.00000 -0.24485 -0.24485 160 8PY 0.00000 0.78505 0.78505 0.24378 0.24485 161 8PZ 0.78505 0.00000 -0.78505 0.24485 0.24378 162 9D 0 -0.00912 0.00000 0.00912 -0.00164 0.00328 163 9D+1 0.00000 -0.00358 -0.00358 0.00693 0.00056 164 9D-1 -0.00358 -0.00358 0.00000 -0.00056 -0.00056 165 9D+2 0.00526 0.01053 0.00526 -0.00284 0.00000 166 9D-2 -0.00358 0.00000 0.00358 0.00056 0.00693 167 9 O 1S 0.00000 0.00000 0.00000 0.02366 -0.02366 168 2S 0.00000 0.00000 0.00000 0.05299 -0.05299 169 3S 0.00000 0.00000 0.00000 0.00684 -0.00684 170 4S 0.00000 0.00000 0.00000 -0.88718 0.88718 171 5S 0.00000 0.00000 0.00000 0.88921 -0.88921 172 6PX 0.09223 -0.09223 0.00000 -0.07373 0.07373 173 6PY 0.00000 0.09223 0.09223 -0.08797 0.07373 174 6PZ 0.09223 0.00000 0.09223 0.07373 -0.08797 175 7PX 0.25000 -0.25000 0.00000 -0.17975 0.17975 176 7PY 0.00000 0.25000 0.25000 -0.20176 0.17975 177 7PZ 0.25000 0.00000 0.25000 0.17975 -0.20176 178 8PX -0.78505 0.78505 0.00000 0.24485 -0.24485 179 8PY 0.00000 -0.78505 -0.78505 0.24378 -0.24485 180 8PZ -0.78505 0.00000 -0.78505 -0.24485 0.24378 181 9D 0 -0.00912 0.00000 -0.00912 -0.00164 -0.00328 182 9D+1 0.00000 0.00358 0.00358 0.00693 -0.00056 183 9D-1 0.00358 -0.00358 0.00000 0.00056 -0.00056 184 9D+2 0.00526 -0.01053 -0.00526 -0.00284 0.00000 185 9D-2 0.00358 0.00000 0.00358 -0.00056 0.00693 86 87 88 89 90 (T2)--V (T2)--V (T2)--V (T2)--V (A1)--V Eigenvalues -- 0.67900 0.81728 0.81728 0.81728 0.81937 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 -0.01957 2 2S 0.00000 0.00000 0.00000 0.00000 0.07365 3 3S 0.00000 0.00000 0.00000 0.00000 -0.13470 4 4S 0.00000 0.00000 0.00000 0.00000 -0.37947 5 5S 0.00000 0.00000 0.00000 0.00000 2.34242 6 6S 0.00000 0.00000 0.00000 0.00000 3.87068 7 7PX -0.00179 0.00000 0.00000 0.00010 0.00000 8 7PY 0.00000 0.00010 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00010 0.00000 0.00000 10 8PX -0.00629 0.00000 0.00000 -0.00571 0.00000 11 8PY 0.00000 -0.00571 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 -0.00571 0.00000 0.00000 13 9PX 0.10779 0.00000 0.00000 0.06018 0.00000 14 9PY 0.00000 0.06018 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.06018 0.00000 0.00000 16 10PX -1.33849 0.00000 0.00000 -1.52310 0.00000 17 10PY 0.00000 -1.52310 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 -1.52310 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 -0.06488 0.00000 0.00000 0.00000 21 11D-1 -0.19422 0.00000 0.00000 -0.06488 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 -0.06488 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.03293 0.00000 0.00000 0.00000 26 12D-1 -0.13880 0.00000 0.00000 -0.03293 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.03293 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 -0.01160 0.00000 0.00000 0.00000 31 13D-1 0.20530 0.00000 0.00000 -0.01160 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 -0.01160 0.00000 0.00000 34 2 C 1S 0.01170 0.01771 0.01771 0.01771 -0.00589 35 2S 0.02352 0.04150 0.04150 0.04150 -0.01088 36 3S 0.12449 -0.07209 -0.07209 -0.07209 -0.13736 37 4S -0.71777 -1.39709 -1.39709 -1.39709 0.65023 38 5S 1.57824 -0.46985 -0.46985 -0.46985 -2.96761 39 6PX -0.05970 -0.04917 -0.04917 -0.08201 0.15332 40 6PY -0.10477 -0.08201 -0.04917 -0.04917 0.15332 41 6PZ -0.10477 -0.04917 -0.08201 -0.04917 0.15332 42 7PX -0.15092 -0.34286 -0.34286 -0.29782 0.25721 43 7PY -0.25103 -0.29782 -0.34286 -0.34286 0.25721 44 7PZ -0.25103 -0.34286 -0.29782 -0.34286 0.25721 45 8PX -0.29109 -1.23487 -1.23487 -1.19989 0.05462 46 8PY -0.19421 -1.19989 -1.23487 -1.23487 0.05462 47 8PZ -0.19421 -1.23487 -1.19989 -1.23487 0.05462 48 9D 0 -0.01631 -0.00868 0.01736 -0.00868 0.00000 49 9D+1 0.00852 0.01138 -0.00004 -0.00004 -0.01408 50 9D-1 0.01982 -0.00004 -0.00004 0.01138 -0.01408 51 9D+2 0.02825 -0.01503 0.00000 0.01503 0.00000 52 9D-2 0.00852 -0.00004 0.01138 -0.00004 -0.01408 53 3 C 1S -0.01170 -0.01771 0.01771 -0.01771 -0.00589 54 2S -0.02352 -0.04150 0.04150 -0.04150 -0.01088 55 3S -0.12449 0.07209 -0.07209 0.07209 -0.13736 56 4S 0.71777 1.39709 -1.39709 1.39709 0.65023 57 5S -1.57824 0.46985 -0.46985 0.46985 -2.96761 58 6PX -0.05970 -0.04917 0.04917 -0.08201 -0.15332 59 6PY -0.10477 -0.08201 0.04917 -0.04917 -0.15332 60 6PZ 0.10477 0.04917 -0.08201 0.04917 0.15332 61 7PX -0.15092 -0.34286 0.34286 -0.29782 -0.25721 62 7PY -0.25103 -0.29782 0.34286 -0.34286 -0.25721 63 7PZ 0.25103 0.34286 -0.29782 0.34286 0.25721 64 8PX -0.29109 -1.23487 1.23487 -1.19989 -0.05462 65 8PY -0.19421 -1.19989 1.23487 -1.23487 -0.05462 66 8PZ 0.19421 1.23487 -1.19989 1.23487 0.05462 67 9D 0 0.01631 0.00868 0.01736 0.00868 0.00000 68 9D+1 0.00852 0.01138 0.00004 -0.00004 0.01408 69 9D-1 0.01982 -0.00004 0.00004 0.01138 0.01408 70 9D+2 -0.02825 0.01503 0.00000 -0.01503 0.00000 71 9D-2 -0.00852 0.00004 0.01138 0.00004 -0.01408 72 4 C 1S -0.01170 0.01771 -0.01771 -0.01771 -0.00589 73 2S -0.02352 0.04150 -0.04150 -0.04150 -0.01088 74 3S -0.12449 -0.07209 0.07209 0.07209 -0.13736 75 4S 0.71777 -1.39709 1.39709 1.39709 0.65023 76 5S -1.57824 -0.46985 0.46985 0.46985 -2.96761 77 6PX -0.05970 0.04917 -0.04917 -0.08201 -0.15332 78 6PY 0.10477 -0.08201 0.04917 0.04917 0.15332 79 6PZ -0.10477 0.04917 -0.08201 -0.04917 -0.15332 80 7PX -0.15092 0.34286 -0.34286 -0.29782 -0.25721 81 7PY 0.25103 -0.29782 0.34286 0.34286 0.25721 82 7PZ -0.25103 0.34286 -0.29782 -0.34286 -0.25721 83 8PX -0.29109 1.23487 -1.23487 -1.19989 -0.05462 84 8PY 0.19421 -1.19989 1.23487 1.23487 0.05462 85 8PZ -0.19421 1.23487 -1.19989 -1.23487 -0.05462 86 9D 0 0.01631 -0.00868 -0.01736 0.00868 0.00000 87 9D+1 -0.00852 0.01138 0.00004 0.00004 -0.01408 88 9D-1 0.01982 0.00004 -0.00004 0.01138 0.01408 89 9D+2 -0.02825 -0.01503 0.00000 -0.01503 0.00000 90 9D-2 0.00852 0.00004 0.01138 -0.00004 0.01408 91 5 C 1S 0.01170 -0.01771 -0.01771 0.01771 -0.00589 92 2S 0.02352 -0.04150 -0.04150 0.04150 -0.01088 93 3S 0.12449 0.07209 0.07209 -0.07209 -0.13736 94 4S -0.71777 1.39709 1.39709 -1.39709 0.65023 95 5S 1.57824 0.46985 0.46985 -0.46985 -2.96761 96 6PX -0.05970 0.04917 0.04917 -0.08201 0.15332 97 6PY 0.10477 -0.08201 -0.04917 0.04917 -0.15332 98 6PZ 0.10477 -0.04917 -0.08201 0.04917 -0.15332 99 7PX -0.15092 0.34286 0.34286 -0.29782 0.25721 100 7PY 0.25103 -0.29782 -0.34286 0.34286 -0.25721 101 7PZ 0.25103 -0.34286 -0.29782 0.34286 -0.25721 102 8PX -0.29109 1.23487 1.23487 -1.19989 0.05462 103 8PY 0.19421 -1.19989 -1.23487 1.23487 -0.05462 104 8PZ 0.19421 -1.23487 -1.19989 1.23487 -0.05462 105 9D 0 -0.01631 0.00868 -0.01736 -0.00868 0.00000 106 9D+1 -0.00852 0.01138 -0.00004 0.00004 0.01408 107 9D-1 0.01982 0.00004 0.00004 0.01138 -0.01408 108 9D+2 0.02825 0.01503 0.00000 0.01503 0.00000 109 9D-2 -0.00852 -0.00004 0.01138 0.00004 0.01408 110 6 O 1S -0.02366 0.01752 0.01752 0.01752 0.02685 111 2S -0.05299 0.03371 0.03371 0.03371 0.06061 112 3S -0.00684 0.09354 0.09354 0.09354 0.00375 113 4S 0.88718 -1.21894 -1.21894 -1.21894 -1.05974 114 5S -0.88921 4.16380 4.16380 4.16380 1.54655 115 6PX -0.08797 -0.07792 -0.07792 -0.06739 0.08805 116 6PY -0.07373 -0.06739 -0.07792 -0.07792 0.08805 117 6PZ -0.07373 -0.07792 -0.06739 -0.07792 0.08805 118 7PX -0.20176 -0.18356 -0.18356 -0.16427 0.19083 119 7PY -0.17975 -0.16427 -0.18356 -0.18356 0.19083 120 7PZ -0.17975 -0.18356 -0.16427 -0.18356 0.19083 121 8PX 0.24378 -0.31924 -0.31924 -0.41312 -0.28843 122 8PY 0.24485 -0.41312 -0.31924 -0.31924 -0.28843 123 8PZ 0.24485 -0.31924 -0.41312 -0.31924 -0.28843 124 9D 0 0.00164 -0.00005 0.00009 -0.00005 0.00000 125 9D+1 0.00056 -0.00932 -0.01266 -0.01266 0.00445 126 9D-1 0.00693 -0.01266 -0.01266 -0.00932 0.00445 127 9D+2 -0.00284 -0.00008 0.00000 0.00008 0.00000 128 9D-2 0.00056 -0.01266 -0.00932 -0.01266 0.00445 129 7 O 1S 0.02366 0.01752 -0.01752 -0.01752 0.02685 130 2S 0.05299 0.03371 -0.03371 -0.03371 0.06061 131 3S 0.00684 0.09354 -0.09354 -0.09354 0.00375 132 4S -0.88718 -1.21894 1.21894 1.21894 -1.05974 133 5S 0.88921 4.16380 -4.16380 -4.16380 1.54655 134 6PX -0.08797 0.07792 -0.07792 -0.06739 -0.08805 135 6PY 0.07373 -0.06739 0.07792 0.07792 0.08805 136 6PZ -0.07373 0.07792 -0.06739 -0.07792 -0.08805 137 7PX -0.20176 0.18356 -0.18356 -0.16427 -0.19083 138 7PY 0.17975 -0.16427 0.18356 0.18356 0.19083 139 7PZ -0.17975 0.18356 -0.16427 -0.18356 -0.19083 140 8PX 0.24378 0.31924 -0.31924 -0.41312 0.28843 141 8PY -0.24485 -0.41312 0.31924 0.31924 -0.28843 142 8PZ 0.24485 0.31924 -0.41312 -0.31924 0.28843 143 9D 0 -0.00164 -0.00005 -0.00009 0.00005 0.00000 144 9D+1 -0.00056 -0.00932 0.01266 0.01266 0.00445 145 9D-1 0.00693 0.01266 -0.01266 -0.00932 -0.00445 146 9D+2 0.00284 -0.00008 0.00000 -0.00008 0.00000 147 9D-2 0.00056 0.01266 -0.00932 -0.01266 -0.00445 148 8 O 1S -0.02366 -0.01752 -0.01752 0.01752 0.02685 149 2S -0.05299 -0.03371 -0.03371 0.03371 0.06061 150 3S -0.00684 -0.09354 -0.09354 0.09354 0.00375 151 4S 0.88718 1.21894 1.21894 -1.21894 -1.05974 152 5S -0.88921 -4.16380 -4.16380 4.16380 1.54655 153 6PX -0.08797 0.07792 0.07792 -0.06739 0.08805 154 6PY 0.07373 -0.06739 -0.07792 0.07792 -0.08805 155 6PZ 0.07373 -0.07792 -0.06739 0.07792 -0.08805 156 7PX -0.20176 0.18356 0.18356 -0.16427 0.19083 157 7PY 0.17975 -0.16427 -0.18356 0.18356 -0.19083 158 7PZ 0.17975 -0.18356 -0.16427 0.18356 -0.19083 159 8PX 0.24378 0.31924 0.31924 -0.41312 -0.28843 160 8PY -0.24485 -0.41312 -0.31924 0.31924 0.28843 161 8PZ -0.24485 -0.31924 -0.41312 0.31924 0.28843 162 9D 0 0.00164 0.00005 -0.00009 -0.00005 0.00000 163 9D+1 -0.00056 -0.00932 -0.01266 0.01266 -0.00445 164 9D-1 0.00693 0.01266 0.01266 -0.00932 0.00445 165 9D+2 -0.00284 0.00008 0.00000 0.00008 0.00000 166 9D-2 -0.00056 -0.01266 -0.00932 0.01266 -0.00445 167 9 O 1S 0.02366 -0.01752 0.01752 -0.01752 0.02685 168 2S 0.05299 -0.03371 0.03371 -0.03371 0.06061 169 3S 0.00684 -0.09354 0.09354 -0.09354 0.00375 170 4S -0.88718 1.21894 -1.21894 1.21894 -1.05974 171 5S 0.88921 -4.16380 4.16380 -4.16380 1.54655 172 6PX -0.08797 -0.07792 0.07792 -0.06739 -0.08805 173 6PY -0.07373 -0.06739 0.07792 -0.07792 -0.08805 174 6PZ 0.07373 0.07792 -0.06739 0.07792 0.08805 175 7PX -0.20176 -0.18356 0.18356 -0.16427 -0.19083 176 7PY -0.17975 -0.16427 0.18356 -0.18356 -0.19083 177 7PZ 0.17975 0.18356 -0.16427 0.18356 0.19083 178 8PX 0.24378 -0.31924 0.31924 -0.41312 0.28843 179 8PY 0.24485 -0.41312 0.31924 -0.31924 0.28843 180 8PZ -0.24485 0.31924 -0.41312 0.31924 -0.28843 181 9D 0 -0.00164 0.00005 0.00009 0.00005 0.00000 182 9D+1 0.00056 -0.00932 0.01266 -0.01266 -0.00445 183 9D-1 0.00693 -0.01266 0.01266 -0.00932 -0.00445 184 9D+2 0.00284 0.00008 0.00000 -0.00008 0.00000 185 9D-2 -0.00056 0.01266 -0.00932 0.01266 0.00445 91 92 93 94 95 (A1)--V (E)--V (E)--V (T2)--V (T2)--V Eigenvalues -- 0.86791 0.90717 0.90717 1.30447 1.30447 1 1 Ni 1S 0.00715 0.00000 0.00000 0.00000 0.00000 2 2S -0.03514 0.00000 0.00000 0.00000 0.00000 3 3S 0.03544 0.00000 0.00000 0.00000 0.00000 4 4S 0.23788 0.00000 0.00000 0.00000 0.00000 5 5S -3.47651 0.00000 0.00000 0.00000 0.00000 6 6S 3.23518 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.06638 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.06638 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.21683 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.21683 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.10434 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.10434 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -1.03514 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -1.03514 19 11D 0 0.00000 -0.19350 -0.27827 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.24759 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 -0.27827 0.19350 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.24759 24 12D 0 0.00000 -0.19580 -0.28157 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.25107 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 -0.28157 0.19580 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.25107 29 13D 0 0.00000 0.60269 0.86669 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -1.04898 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.86669 -0.60269 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 -1.04898 34 2 C 1S 0.00970 0.00000 0.00000 0.01276 0.01276 35 2S 0.02208 0.00000 0.00000 0.03866 0.03866 36 3S -0.03619 0.00000 0.00000 -0.43080 -0.43080 37 4S -1.03177 0.00000 0.00000 1.36856 1.36856 38 5S -2.62573 0.00000 0.00000 0.38380 0.38380 39 6PX -0.08465 -0.04961 0.10551 -0.25445 -0.25445 40 6PY -0.08465 0.11618 -0.00978 -0.15427 -0.25445 41 6PZ -0.08465 -0.06656 -0.09572 -0.25445 -0.15427 42 7PX -0.33570 0.01781 -0.03788 0.22826 0.22826 43 7PY -0.33570 -0.04171 0.00351 0.08921 0.22826 44 7PZ -0.33570 0.02390 0.03436 0.22826 0.08921 45 8PX -1.00418 -0.10808 0.22984 -0.16387 -0.16387 46 8PY -1.00418 0.25309 -0.02132 -0.17913 -0.16387 47 8PZ -1.00418 -0.14500 -0.20852 -0.16387 -0.17913 48 9D 0 0.00000 -0.04669 -0.06714 0.04775 -0.09549 49 9D+1 0.00416 -0.06433 0.00542 -0.00098 0.03177 50 9D-1 0.00416 0.02747 -0.05842 0.03177 0.03177 51 9D+2 0.00000 -0.06714 0.04669 0.08270 0.00000 52 9D-2 0.00416 0.03685 0.05300 0.03177 -0.00098 53 3 C 1S 0.00970 0.00000 0.00000 -0.01276 0.01276 54 2S 0.02208 0.00000 0.00000 -0.03866 0.03866 55 3S -0.03619 0.00000 0.00000 0.43080 -0.43080 56 4S -1.03177 0.00000 0.00000 -1.36856 1.36856 57 5S -2.62573 0.00000 0.00000 -0.38380 0.38380 58 6PX 0.08465 0.04961 -0.10551 -0.25445 0.25445 59 6PY 0.08465 -0.11618 0.00978 -0.15427 0.25445 60 6PZ -0.08465 -0.06656 -0.09572 0.25445 -0.15427 61 7PX 0.33570 -0.01781 0.03788 0.22826 -0.22826 62 7PY 0.33570 0.04171 -0.00351 0.08921 -0.22826 63 7PZ -0.33570 0.02390 0.03436 -0.22826 0.08921 64 8PX 1.00418 0.10808 -0.22984 -0.16387 0.16387 65 8PY 1.00418 -0.25309 0.02132 -0.17913 0.16387 66 8PZ -1.00418 -0.14500 -0.20852 0.16387 -0.17913 67 9D 0 0.00000 -0.04669 -0.06714 -0.04775 -0.09549 68 9D+1 -0.00416 0.06433 -0.00542 -0.00098 -0.03177 69 9D-1 -0.00416 -0.02747 0.05842 0.03177 -0.03177 70 9D+2 0.00000 -0.06714 0.04669 -0.08270 0.00000 71 9D-2 0.00416 0.03685 0.05300 -0.03177 -0.00098 72 4 C 1S 0.00970 0.00000 0.00000 0.01276 -0.01276 73 2S 0.02208 0.00000 0.00000 0.03866 -0.03866 74 3S -0.03619 0.00000 0.00000 -0.43080 0.43080 75 4S -1.03177 0.00000 0.00000 1.36856 -1.36856 76 5S -2.62573 0.00000 0.00000 0.38380 -0.38380 77 6PX 0.08465 0.04961 -0.10551 0.25445 -0.25445 78 6PY -0.08465 0.11618 -0.00978 -0.15427 0.25445 79 6PZ 0.08465 0.06656 0.09572 0.25445 -0.15427 80 7PX 0.33570 -0.01781 0.03788 -0.22826 0.22826 81 7PY -0.33570 -0.04171 0.00351 0.08921 -0.22826 82 7PZ 0.33570 -0.02390 -0.03436 -0.22826 0.08921 83 8PX 1.00418 0.10808 -0.22984 0.16387 -0.16387 84 8PY -1.00418 0.25309 -0.02132 -0.17913 0.16387 85 8PZ 1.00418 0.14500 0.20852 0.16387 -0.17913 86 9D 0 0.00000 -0.04669 -0.06714 0.04775 0.09549 87 9D+1 0.00416 -0.06433 0.00542 -0.00098 -0.03177 88 9D-1 -0.00416 -0.02747 0.05842 -0.03177 0.03177 89 9D+2 0.00000 -0.06714 0.04669 0.08270 0.00000 90 9D-2 -0.00416 -0.03685 -0.05300 -0.03177 -0.00098 91 5 C 1S 0.00970 0.00000 0.00000 -0.01276 -0.01276 92 2S 0.02208 0.00000 0.00000 -0.03866 -0.03866 93 3S -0.03619 0.00000 0.00000 0.43080 0.43080 94 4S -1.03177 0.00000 0.00000 -1.36856 -1.36856 95 5S -2.62573 0.00000 0.00000 -0.38380 -0.38380 96 6PX -0.08465 -0.04961 0.10551 0.25445 0.25445 97 6PY 0.08465 -0.11618 0.00978 -0.15427 -0.25445 98 6PZ 0.08465 0.06656 0.09572 -0.25445 -0.15427 99 7PX -0.33570 0.01781 -0.03788 -0.22826 -0.22826 100 7PY 0.33570 0.04171 -0.00351 0.08921 0.22826 101 7PZ 0.33570 -0.02390 -0.03436 0.22826 0.08921 102 8PX -1.00418 -0.10808 0.22984 0.16387 0.16387 103 8PY 1.00418 -0.25309 0.02132 -0.17913 -0.16387 104 8PZ 1.00418 0.14500 0.20852 -0.16387 -0.17913 105 9D 0 0.00000 -0.04669 -0.06714 -0.04775 0.09549 106 9D+1 -0.00416 0.06433 -0.00542 -0.00098 0.03177 107 9D-1 0.00416 0.02747 -0.05842 -0.03177 -0.03177 108 9D+2 0.00000 -0.06714 0.04669 -0.08270 0.00000 109 9D-2 -0.00416 -0.03685 -0.05300 0.03177 -0.00098 110 6 O 1S 0.01682 0.00000 0.00000 -0.01464 -0.01464 111 2S 0.03120 0.00000 0.00000 -0.03779 -0.03779 112 3S 0.11380 0.00000 0.00000 0.09590 0.09590 113 4S -1.33206 0.00000 0.00000 0.10752 0.10752 114 5S 4.58825 0.00000 0.00000 -0.84325 -0.84325 115 6PX -0.07666 0.00465 -0.00989 -0.07170 -0.07170 116 6PY -0.07666 -0.01089 0.00092 -0.06208 -0.07170 117 6PZ -0.07666 0.00624 0.00897 -0.07170 -0.06208 118 7PX -0.16205 -0.01098 0.02335 -0.02049 -0.02049 119 7PY -0.16205 0.02571 -0.00217 0.00054 -0.02049 120 7PZ -0.16205 -0.01473 -0.02119 -0.02049 0.00054 121 8PX -0.43629 0.09418 -0.20027 0.30842 0.30842 122 8PY -0.43629 -0.22053 0.01857 0.36914 0.30842 123 8PZ -0.43629 0.12635 0.18170 0.30842 0.36914 124 9D 0 0.00000 0.01367 0.01966 -0.00183 0.00367 125 9D+1 -0.01335 0.01340 -0.00113 -0.04975 -0.03383 126 9D-1 -0.01335 -0.00572 0.01217 -0.03383 -0.03383 127 9D+2 0.00000 0.01966 -0.01367 -0.00318 0.00000 128 9D-2 -0.01335 -0.00768 -0.01104 -0.03383 -0.04975 129 7 O 1S 0.01682 0.00000 0.00000 -0.01464 0.01464 130 2S 0.03120 0.00000 0.00000 -0.03779 0.03779 131 3S 0.11380 0.00000 0.00000 0.09590 -0.09590 132 4S -1.33206 0.00000 0.00000 0.10752 -0.10752 133 5S 4.58825 0.00000 0.00000 -0.84325 0.84325 134 6PX 0.07666 -0.00465 0.00989 0.07170 -0.07170 135 6PY -0.07666 -0.01089 0.00092 -0.06208 0.07170 136 6PZ 0.07666 -0.00624 -0.00897 0.07170 -0.06208 137 7PX 0.16205 0.01098 -0.02335 0.02049 -0.02049 138 7PY -0.16205 0.02571 -0.00217 0.00054 0.02049 139 7PZ 0.16205 0.01473 0.02119 0.02049 0.00054 140 8PX 0.43629 -0.09418 0.20027 -0.30842 0.30842 141 8PY -0.43629 -0.22053 0.01857 0.36914 -0.30842 142 8PZ 0.43629 -0.12635 -0.18170 -0.30842 0.36914 143 9D 0 0.00000 0.01367 0.01966 -0.00183 -0.00367 144 9D+1 -0.01335 0.01340 -0.00113 -0.04975 0.03383 145 9D-1 0.01335 0.00572 -0.01217 0.03383 -0.03383 146 9D+2 0.00000 0.01966 -0.01367 -0.00318 0.00000 147 9D-2 0.01335 0.00768 0.01104 0.03383 -0.04975 148 8 O 1S 0.01682 0.00000 0.00000 0.01464 0.01464 149 2S 0.03120 0.00000 0.00000 0.03779 0.03779 150 3S 0.11380 0.00000 0.00000 -0.09590 -0.09590 151 4S -1.33206 0.00000 0.00000 -0.10752 -0.10752 152 5S 4.58825 0.00000 0.00000 0.84325 0.84325 153 6PX -0.07666 0.00465 -0.00989 0.07170 0.07170 154 6PY 0.07666 0.01089 -0.00092 -0.06208 -0.07170 155 6PZ 0.07666 -0.00624 -0.00897 -0.07170 -0.06208 156 7PX -0.16205 -0.01098 0.02335 0.02049 0.02049 157 7PY 0.16205 -0.02571 0.00217 0.00054 -0.02049 158 7PZ 0.16205 0.01473 0.02119 -0.02049 0.00054 159 8PX -0.43629 0.09418 -0.20027 -0.30842 -0.30842 160 8PY 0.43629 0.22053 -0.01857 0.36914 0.30842 161 8PZ 0.43629 -0.12635 -0.18170 0.30842 0.36914 162 9D 0 0.00000 0.01367 0.01966 0.00183 -0.00367 163 9D+1 0.01335 -0.01340 0.00113 -0.04975 -0.03383 164 9D-1 -0.01335 -0.00572 0.01217 0.03383 0.03383 165 9D+2 0.00000 0.01966 -0.01367 0.00318 0.00000 166 9D-2 0.01335 0.00768 0.01104 -0.03383 -0.04975 167 9 O 1S 0.01682 0.00000 0.00000 0.01464 -0.01464 168 2S 0.03120 0.00000 0.00000 0.03779 -0.03779 169 3S 0.11380 0.00000 0.00000 -0.09590 0.09590 170 4S -1.33206 0.00000 0.00000 -0.10752 0.10752 171 5S 4.58825 0.00000 0.00000 0.84325 -0.84325 172 6PX 0.07666 -0.00465 0.00989 -0.07170 0.07170 173 6PY 0.07666 0.01089 -0.00092 -0.06208 0.07170 174 6PZ -0.07666 0.00624 0.00897 0.07170 -0.06208 175 7PX 0.16205 0.01098 -0.02335 -0.02049 0.02049 176 7PY 0.16205 -0.02571 0.00217 0.00054 0.02049 177 7PZ -0.16205 -0.01473 -0.02119 0.02049 0.00054 178 8PX 0.43629 -0.09418 0.20027 0.30842 -0.30842 179 8PY 0.43629 0.22053 -0.01857 0.36914 -0.30842 180 8PZ -0.43629 0.12635 0.18170 -0.30842 0.36914 181 9D 0 0.00000 0.01367 0.01966 0.00183 0.00367 182 9D+1 0.01335 -0.01340 0.00113 -0.04975 0.03383 183 9D-1 0.01335 0.00572 -0.01217 -0.03383 0.03383 184 9D+2 0.00000 0.01966 -0.01367 0.00318 0.00000 185 9D-2 -0.01335 -0.00768 -0.01104 0.03383 -0.04975 96 97 98 99 100 (T2)--V (T2)--V (T2)--V (T2)--V (T1)--V Eigenvalues -- 1.30447 1.34154 1.34154 1.34154 1.37391 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX -0.06638 0.05230 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.05230 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.05230 0.00000 10 8PX 0.21683 -0.17532 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 -0.17532 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.17532 0.00000 13 9PX -0.10434 0.14197 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.14197 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.14197 0.00000 16 10PX -1.03514 0.35895 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.35895 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.35895 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.10449 0.00000 0.00000 21 11D-1 0.24759 -0.10449 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.10449 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.02623 0.00000 0.00000 26 12D-1 0.25107 -0.02623 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.02623 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.04154 0.00000 0.00000 31 13D-1 -1.04898 0.04154 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.04154 0.00000 34 2 C 1S 0.01276 0.05025 0.05025 0.05025 0.00000 35 2S 0.03866 0.15310 0.15310 0.15310 0.00000 36 3S -0.43080 -1.23323 -1.23323 -1.23323 0.00000 37 4S 1.36856 2.56197 2.56197 2.56197 0.00000 38 5S 0.38380 -1.14914 -1.14914 -1.14914 0.00000 39 6PX -0.15427 0.35649 -0.06028 -0.06028 -0.41766 40 6PY -0.25445 -0.06028 0.35649 -0.06028 0.00000 41 6PZ -0.25445 -0.06028 -0.06028 0.35649 0.41766 42 7PX 0.08921 -0.30682 0.28113 0.28113 0.61592 43 7PY 0.22826 0.28113 -0.30682 0.28113 0.00000 44 7PZ 0.22826 0.28113 0.28113 -0.30682 -0.61592 45 8PX -0.17913 0.83407 0.32049 0.32049 -0.49937 46 8PY -0.16387 0.32049 0.83407 0.32049 0.00000 47 8PZ -0.16387 0.32049 0.32049 0.83407 0.49937 48 9D 0 0.04775 -0.00265 -0.00265 0.00531 0.06376 49 9D+1 0.03177 0.07118 -0.07282 0.07118 0.00000 50 9D-1 -0.00098 -0.07282 0.07118 0.07118 0.07852 51 9D+2 -0.08270 0.00459 -0.00459 0.00000 -0.03681 52 9D-2 0.03177 0.07118 0.07118 -0.07282 -0.07852 53 3 C 1S -0.01276 -0.05025 -0.05025 0.05025 0.00000 54 2S -0.03866 -0.15310 -0.15310 0.15310 0.00000 55 3S 0.43080 1.23323 1.23323 -1.23323 0.00000 56 4S -1.36856 -2.56197 -2.56197 2.56197 0.00000 57 5S -0.38380 1.14914 1.14914 -1.14914 0.00000 58 6PX -0.15427 0.35649 -0.06028 0.06028 -0.41766 59 6PY -0.25445 -0.06028 0.35649 0.06028 0.00000 60 6PZ 0.25445 0.06028 0.06028 0.35649 -0.41766 61 7PX 0.08921 -0.30682 0.28113 -0.28113 0.61592 62 7PY 0.22826 0.28113 -0.30682 -0.28113 0.00000 63 7PZ -0.22826 -0.28113 -0.28113 -0.30682 0.61592 64 8PX -0.17913 0.83407 0.32049 -0.32049 -0.49937 65 8PY -0.16387 0.32049 0.83407 -0.32049 0.00000 66 8PZ 0.16387 -0.32049 -0.32049 0.83407 -0.49937 67 9D 0 -0.04775 0.00265 0.00265 0.00531 -0.06376 68 9D+1 0.03177 0.07118 -0.07282 -0.07118 0.00000 69 9D-1 -0.00098 -0.07282 0.07118 -0.07118 0.07852 70 9D+2 0.08270 -0.00459 0.00459 0.00000 0.03681 71 9D-2 -0.03177 -0.07118 -0.07118 -0.07282 0.07852 72 4 C 1S -0.01276 -0.05025 0.05025 -0.05025 0.00000 73 2S -0.03866 -0.15310 0.15310 -0.15310 0.00000 74 3S 0.43080 1.23323 -1.23323 1.23323 0.00000 75 4S -1.36856 -2.56197 2.56197 -2.56197 0.00000 76 5S -0.38380 1.14914 -1.14914 1.14914 0.00000 77 6PX -0.15427 0.35649 0.06028 -0.06028 0.41766 78 6PY 0.25445 0.06028 0.35649 0.06028 0.00000 79 6PZ -0.25445 -0.06028 0.06028 0.35649 -0.41766 80 7PX 0.08921 -0.30682 -0.28113 0.28113 -0.61592 81 7PY -0.22826 -0.28113 -0.30682 -0.28113 0.00000 82 7PZ 0.22826 0.28113 -0.28113 -0.30682 0.61592 83 8PX -0.17913 0.83407 -0.32049 0.32049 0.49937 84 8PY 0.16387 -0.32049 0.83407 -0.32049 0.00000 85 8PZ -0.16387 0.32049 -0.32049 0.83407 -0.49937 86 9D 0 -0.04775 0.00265 -0.00265 -0.00531 0.06376 87 9D+1 -0.03177 -0.07118 -0.07282 -0.07118 0.00000 88 9D-1 -0.00098 -0.07282 -0.07118 0.07118 -0.07852 89 9D+2 0.08270 -0.00459 -0.00459 0.00000 -0.03681 90 9D-2 0.03177 0.07118 -0.07118 -0.07282 0.07852 91 5 C 1S 0.01276 0.05025 -0.05025 -0.05025 0.00000 92 2S 0.03866 0.15310 -0.15310 -0.15310 0.00000 93 3S -0.43080 -1.23323 1.23323 1.23323 0.00000 94 4S 1.36856 2.56197 -2.56197 -2.56197 0.00000 95 5S 0.38380 -1.14914 1.14914 1.14914 0.00000 96 6PX -0.15427 0.35649 0.06028 0.06028 0.41766 97 6PY 0.25445 0.06028 0.35649 -0.06028 0.00000 98 6PZ 0.25445 0.06028 -0.06028 0.35649 0.41766 99 7PX 0.08921 -0.30682 -0.28113 -0.28113 -0.61592 100 7PY -0.22826 -0.28113 -0.30682 0.28113 0.00000 101 7PZ -0.22826 -0.28113 0.28113 -0.30682 -0.61592 102 8PX -0.17913 0.83407 -0.32049 -0.32049 0.49937 103 8PY 0.16387 -0.32049 0.83407 0.32049 0.00000 104 8PZ 0.16387 -0.32049 0.32049 0.83407 0.49937 105 9D 0 0.04775 -0.00265 0.00265 -0.00531 -0.06376 106 9D+1 -0.03177 -0.07118 -0.07282 0.07118 0.00000 107 9D-1 -0.00098 -0.07282 -0.07118 -0.07118 -0.07852 108 9D+2 -0.08270 0.00459 0.00459 0.00000 0.03681 109 9D-2 -0.03177 -0.07118 0.07118 -0.07282 -0.07852 110 6 O 1S -0.01464 -0.00351 -0.00351 -0.00351 0.00000 111 2S -0.03779 -0.00886 -0.00886 -0.00886 0.00000 112 3S 0.09590 0.02745 0.02745 0.02745 0.00000 113 4S 0.10752 -0.01119 -0.01119 -0.01119 0.00000 114 5S -0.84325 -1.05519 -1.05519 -1.05519 0.00000 115 6PX -0.06208 -0.00609 -0.00090 -0.00090 -0.00275 116 6PY -0.07170 -0.00090 -0.00609 -0.00090 0.00000 117 6PZ -0.07170 -0.00090 -0.00090 -0.00609 0.00275 118 7PX 0.00054 0.09536 0.04464 0.04464 -0.05040 119 7PY -0.02049 0.04464 0.09536 0.04464 0.00000 120 7PZ -0.02049 0.04464 0.04464 0.09536 0.05040 121 8PX 0.36914 0.09283 0.23296 0.23296 0.13583 122 8PY 0.30842 0.23296 0.09283 0.23296 0.00000 123 8PZ 0.30842 0.23296 0.23296 0.09283 -0.13583 124 9D 0 -0.00183 0.01666 0.01666 -0.03332 -0.03942 125 9D+1 -0.03383 -0.01797 -0.01101 -0.01797 0.00000 126 9D-1 -0.04975 -0.01101 -0.01797 -0.01797 -0.01564 127 9D+2 0.00318 -0.02885 0.02885 0.00000 0.02276 128 9D-2 -0.03383 -0.01797 -0.01797 -0.01101 0.01564 129 7 O 1S 0.01464 0.00351 -0.00351 0.00351 0.00000 130 2S 0.03779 0.00886 -0.00886 0.00886 0.00000 131 3S -0.09590 -0.02745 0.02745 -0.02745 0.00000 132 4S -0.10752 0.01119 -0.01119 0.01119 0.00000 133 5S 0.84325 1.05519 -1.05519 1.05519 0.00000 134 6PX -0.06208 -0.00609 0.00090 -0.00090 0.00275 135 6PY 0.07170 0.00090 -0.00609 0.00090 0.00000 136 6PZ -0.07170 -0.00090 0.00090 -0.00609 -0.00275 137 7PX 0.00054 0.09536 -0.04464 0.04464 0.05040 138 7PY 0.02049 -0.04464 0.09536 -0.04464 0.00000 139 7PZ -0.02049 0.04464 -0.04464 0.09536 -0.05040 140 8PX 0.36914 0.09283 -0.23296 0.23296 -0.13583 141 8PY -0.30842 -0.23296 0.09283 -0.23296 0.00000 142 8PZ 0.30842 0.23296 -0.23296 0.09283 0.13583 143 9D 0 0.00183 -0.01666 0.01666 0.03332 -0.03942 144 9D+1 0.03383 0.01797 -0.01101 0.01797 0.00000 145 9D-1 -0.04975 -0.01101 0.01797 -0.01797 0.01564 146 9D+2 -0.00318 0.02885 0.02885 0.00000 0.02276 147 9D-2 -0.03383 -0.01797 0.01797 -0.01101 -0.01564 148 8 O 1S -0.01464 -0.00351 0.00351 0.00351 0.00000 149 2S -0.03779 -0.00886 0.00886 0.00886 0.00000 150 3S 0.09590 0.02745 -0.02745 -0.02745 0.00000 151 4S 0.10752 -0.01119 0.01119 0.01119 0.00000 152 5S -0.84325 -1.05519 1.05519 1.05519 0.00000 153 6PX -0.06208 -0.00609 0.00090 0.00090 0.00275 154 6PY 0.07170 0.00090 -0.00609 -0.00090 0.00000 155 6PZ 0.07170 0.00090 -0.00090 -0.00609 0.00275 156 7PX 0.00054 0.09536 -0.04464 -0.04464 0.05040 157 7PY 0.02049 -0.04464 0.09536 0.04464 0.00000 158 7PZ 0.02049 -0.04464 0.04464 0.09536 0.05040 159 8PX 0.36914 0.09283 -0.23296 -0.23296 -0.13583 160 8PY -0.30842 -0.23296 0.09283 0.23296 0.00000 161 8PZ -0.30842 -0.23296 0.23296 0.09283 -0.13583 162 9D 0 -0.00183 0.01666 -0.01666 0.03332 0.03942 163 9D+1 0.03383 0.01797 -0.01101 -0.01797 0.00000 164 9D-1 -0.04975 -0.01101 0.01797 0.01797 0.01564 165 9D+2 0.00318 -0.02885 -0.02885 0.00000 -0.02276 166 9D-2 0.03383 0.01797 -0.01797 -0.01101 0.01564 167 9 O 1S 0.01464 0.00351 0.00351 -0.00351 0.00000 168 2S 0.03779 0.00886 0.00886 -0.00886 0.00000 169 3S -0.09590 -0.02745 -0.02745 0.02745 0.00000 170 4S -0.10752 0.01119 0.01119 -0.01119 0.00000 171 5S 0.84325 1.05519 1.05519 -1.05519 0.00000 172 6PX -0.06208 -0.00609 -0.00090 0.00090 -0.00275 173 6PY -0.07170 -0.00090 -0.00609 0.00090 0.00000 174 6PZ 0.07170 0.00090 0.00090 -0.00609 -0.00275 175 7PX 0.00054 0.09536 0.04464 -0.04464 -0.05040 176 7PY -0.02049 0.04464 0.09536 -0.04464 0.00000 177 7PZ 0.02049 -0.04464 -0.04464 0.09536 -0.05040 178 8PX 0.36914 0.09283 0.23296 -0.23296 0.13583 179 8PY 0.30842 0.23296 0.09283 -0.23296 0.00000 180 8PZ -0.30842 -0.23296 -0.23296 0.09283 0.13583 181 9D 0 0.00183 -0.01666 -0.01666 -0.03332 0.03942 182 9D+1 -0.03383 -0.01797 -0.01101 0.01797 0.00000 183 9D-1 -0.04975 -0.01101 -0.01797 0.01797 -0.01564 184 9D+2 -0.00318 0.02885 -0.02885 0.00000 -0.02276 185 9D-2 0.03383 0.01797 0.01797 -0.01101 -0.01564 101 102 103 104 105 (T1)--V (T1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 1.37391 1.37391 1.42765 1.42765 1.42765 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 -0.01094 0.00000 8 7PY 0.00000 0.00000 -0.01094 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01094 10 8PX 0.00000 0.00000 0.00000 0.04015 0.00000 11 8PY 0.00000 0.00000 0.04015 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.04015 13 9PX 0.00000 0.00000 0.00000 -0.06141 0.00000 14 9PY 0.00000 0.00000 -0.06141 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.06141 16 10PX 0.00000 0.00000 0.00000 0.94927 0.00000 17 10PY 0.00000 0.00000 0.94927 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.94927 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.07306 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 -0.07306 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 -0.07306 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.10661 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 -0.10661 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 -0.10661 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.55178 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.55178 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.55178 34 2 C 1S 0.00000 0.00000 0.03453 0.03453 0.03453 35 2S 0.00000 0.00000 0.10299 0.10299 0.10299 36 3S 0.00000 0.00000 -0.90947 -0.90947 -0.90947 37 4S 0.00000 0.00000 2.43378 2.43378 2.43378 38 5S 0.00000 0.00000 -0.61729 -0.61729 -0.61729 39 6PX -0.41766 0.00000 0.11680 -0.46553 0.11680 40 6PY 0.41766 -0.41766 -0.46553 0.11680 0.11680 41 6PZ 0.00000 0.41766 0.11680 0.11680 -0.46553 42 7PX 0.61592 0.00000 0.25235 1.08120 0.25235 43 7PY -0.61592 0.61592 1.08120 0.25235 0.25235 44 7PZ 0.00000 -0.61592 0.25235 0.25235 1.08120 45 8PX -0.49937 0.00000 0.63834 0.49997 0.63834 46 8PY 0.49937 -0.49937 0.49997 0.63834 0.63834 47 8PZ 0.00000 0.49937 0.63834 0.63834 0.49997 48 9D 0 0.00000 0.06376 -0.02609 -0.02609 0.05217 49 9D+1 -0.07852 0.07852 -0.01612 0.03493 0.03493 50 9D-1 0.07852 0.00000 0.03493 -0.01612 0.03493 51 9D+2 -0.07362 0.03681 -0.04518 0.04518 0.00000 52 9D-2 0.00000 -0.07852 0.03493 0.03493 -0.01612 53 3 C 1S 0.00000 0.00000 -0.03453 -0.03453 0.03453 54 2S 0.00000 0.00000 -0.10299 -0.10299 0.10299 55 3S 0.00000 0.00000 0.90947 0.90947 -0.90947 56 4S 0.00000 0.00000 -2.43378 -2.43378 2.43378 57 5S 0.00000 0.00000 0.61729 0.61729 -0.61729 58 6PX 0.41766 0.00000 0.11680 -0.46553 -0.11680 59 6PY -0.41766 -0.41766 -0.46553 0.11680 -0.11680 60 6PZ 0.00000 -0.41766 -0.11680 -0.11680 -0.46553 61 7PX -0.61592 0.00000 0.25235 1.08120 -0.25235 62 7PY 0.61592 0.61592 1.08120 0.25235 -0.25235 63 7PZ 0.00000 0.61592 -0.25235 -0.25235 1.08120 64 8PX 0.49937 0.00000 0.63834 0.49997 -0.63834 65 8PY -0.49937 -0.49937 0.49997 0.63834 -0.63834 66 8PZ 0.00000 -0.49937 -0.63834 -0.63834 0.49997 67 9D 0 0.00000 -0.06376 0.02609 0.02609 0.05217 68 9D+1 0.07852 0.07852 -0.01612 0.03493 -0.03493 69 9D-1 -0.07852 0.00000 0.03493 -0.01612 -0.03493 70 9D+2 -0.07362 -0.03681 0.04518 -0.04518 0.00000 71 9D-2 0.00000 0.07852 -0.03493 -0.03493 -0.01612 72 4 C 1S 0.00000 0.00000 0.03453 -0.03453 -0.03453 73 2S 0.00000 0.00000 0.10299 -0.10299 -0.10299 74 3S 0.00000 0.00000 -0.90947 0.90947 0.90947 75 4S 0.00000 0.00000 2.43378 -2.43378 -2.43378 76 5S 0.00000 0.00000 -0.61729 0.61729 0.61729 77 6PX -0.41766 0.00000 -0.11680 -0.46553 0.11680 78 6PY -0.41766 0.41766 -0.46553 -0.11680 -0.11680 79 6PZ 0.00000 0.41766 -0.11680 0.11680 -0.46553 80 7PX 0.61592 0.00000 -0.25235 1.08120 0.25235 81 7PY 0.61592 -0.61592 1.08120 -0.25235 -0.25235 82 7PZ 0.00000 -0.61592 -0.25235 0.25235 1.08120 83 8PX -0.49937 0.00000 -0.63834 0.49997 0.63834 84 8PY -0.49937 0.49937 0.49997 -0.63834 -0.63834 85 8PZ 0.00000 0.49937 -0.63834 0.63834 0.49997 86 9D 0 0.00000 -0.06376 -0.02609 0.02609 -0.05217 87 9D+1 0.07852 -0.07852 -0.01612 -0.03493 -0.03493 88 9D-1 0.07852 0.00000 -0.03493 -0.01612 0.03493 89 9D+2 0.07362 -0.03681 -0.04518 -0.04518 0.00000 90 9D-2 0.00000 -0.07852 -0.03493 0.03493 -0.01612 91 5 C 1S 0.00000 0.00000 -0.03453 0.03453 -0.03453 92 2S 0.00000 0.00000 -0.10299 0.10299 -0.10299 93 3S 0.00000 0.00000 0.90947 -0.90947 0.90947 94 4S 0.00000 0.00000 -2.43378 2.43378 -2.43378 95 5S 0.00000 0.00000 0.61729 -0.61729 0.61729 96 6PX 0.41766 0.00000 -0.11680 -0.46553 -0.11680 97 6PY 0.41766 0.41766 -0.46553 -0.11680 0.11680 98 6PZ 0.00000 -0.41766 0.11680 -0.11680 -0.46553 99 7PX -0.61592 0.00000 -0.25235 1.08120 -0.25235 100 7PY -0.61592 -0.61592 1.08120 -0.25235 0.25235 101 7PZ 0.00000 0.61592 0.25235 -0.25235 1.08120 102 8PX 0.49937 0.00000 -0.63834 0.49997 -0.63834 103 8PY 0.49937 0.49937 0.49997 -0.63834 0.63834 104 8PZ 0.00000 -0.49937 0.63834 -0.63834 0.49997 105 9D 0 0.00000 0.06376 0.02609 -0.02609 -0.05217 106 9D+1 -0.07852 -0.07852 -0.01612 -0.03493 0.03493 107 9D-1 -0.07852 0.00000 -0.03493 -0.01612 -0.03493 108 9D+2 0.07362 0.03681 0.04518 0.04518 0.00000 109 9D-2 0.00000 0.07852 0.03493 -0.03493 -0.01612 110 6 O 1S 0.00000 0.00000 -0.00894 -0.00894 -0.00894 111 2S 0.00000 0.00000 -0.02363 -0.02363 -0.02363 112 3S 0.00000 0.00000 0.07732 0.07732 0.07732 113 4S 0.00000 0.00000 -0.02181 -0.02181 -0.02181 114 5S 0.00000 0.00000 -1.97863 -1.97863 -1.97863 115 6PX -0.00275 0.00000 0.00594 -0.01917 0.00594 116 6PY 0.00275 -0.00275 -0.01917 0.00594 0.00594 117 6PZ 0.00000 0.00275 0.00594 0.00594 -0.01917 118 7PX -0.05040 0.00000 0.13676 0.06510 0.13676 119 7PY 0.05040 -0.05040 0.06510 0.13676 0.13676 120 7PZ 0.00000 0.05040 0.13676 0.13676 0.06510 121 8PX 0.13583 0.00000 0.37537 0.26537 0.37537 122 8PY -0.13583 0.13583 0.26537 0.37537 0.37537 123 8PZ 0.00000 -0.13583 0.37537 0.37537 0.26537 124 9D 0 0.00000 -0.03942 0.00267 0.00267 -0.00533 125 9D+1 0.01564 -0.01564 -0.03524 -0.03555 -0.03555 126 9D-1 -0.01564 0.00000 -0.03555 -0.03524 -0.03555 127 9D+2 0.04552 -0.02276 0.00462 -0.00462 0.00000 128 9D-2 0.00000 0.01564 -0.03555 -0.03555 -0.03524 129 7 O 1S 0.00000 0.00000 -0.00894 0.00894 0.00894 130 2S 0.00000 0.00000 -0.02363 0.02363 0.02363 131 3S 0.00000 0.00000 0.07732 -0.07732 -0.07732 132 4S 0.00000 0.00000 -0.02181 0.02181 0.02181 133 5S 0.00000 0.00000 -1.97863 1.97863 1.97863 134 6PX -0.00275 0.00000 -0.00594 -0.01917 0.00594 135 6PY -0.00275 0.00275 -0.01917 -0.00594 -0.00594 136 6PZ 0.00000 0.00275 -0.00594 0.00594 -0.01917 137 7PX -0.05040 0.00000 -0.13676 0.06510 0.13676 138 7PY -0.05040 0.05040 0.06510 -0.13676 -0.13676 139 7PZ 0.00000 0.05040 -0.13676 0.13676 0.06510 140 8PX 0.13583 0.00000 -0.37537 0.26537 0.37537 141 8PY 0.13583 -0.13583 0.26537 -0.37537 -0.37537 142 8PZ 0.00000 -0.13583 -0.37537 0.37537 0.26537 143 9D 0 0.00000 0.03942 0.00267 -0.00267 0.00533 144 9D+1 -0.01564 0.01564 -0.03524 0.03555 0.03555 145 9D-1 -0.01564 0.00000 0.03555 -0.03524 -0.03555 146 9D+2 -0.04552 0.02276 0.00462 0.00462 0.00000 147 9D-2 0.00000 0.01564 0.03555 -0.03555 -0.03524 148 8 O 1S 0.00000 0.00000 0.00894 -0.00894 0.00894 149 2S 0.00000 0.00000 0.02363 -0.02363 0.02363 150 3S 0.00000 0.00000 -0.07732 0.07732 -0.07732 151 4S 0.00000 0.00000 0.02181 -0.02181 0.02181 152 5S 0.00000 0.00000 1.97863 -1.97863 1.97863 153 6PX 0.00275 0.00000 -0.00594 -0.01917 -0.00594 154 6PY 0.00275 0.00275 -0.01917 -0.00594 0.00594 155 6PZ 0.00000 -0.00275 0.00594 -0.00594 -0.01917 156 7PX 0.05040 0.00000 -0.13676 0.06510 -0.13676 157 7PY 0.05040 0.05040 0.06510 -0.13676 0.13676 158 7PZ 0.00000 -0.05040 0.13676 -0.13676 0.06510 159 8PX -0.13583 0.00000 -0.37537 0.26537 -0.37537 160 8PY -0.13583 -0.13583 0.26537 -0.37537 0.37537 161 8PZ 0.00000 0.13583 0.37537 -0.37537 0.26537 162 9D 0 0.00000 -0.03942 -0.00267 0.00267 0.00533 163 9D+1 0.01564 0.01564 -0.03524 0.03555 -0.03555 164 9D-1 0.01564 0.00000 0.03555 -0.03524 0.03555 165 9D+2 -0.04552 -0.02276 -0.00462 -0.00462 0.00000 166 9D-2 0.00000 -0.01564 -0.03555 0.03555 -0.03524 167 9 O 1S 0.00000 0.00000 0.00894 0.00894 -0.00894 168 2S 0.00000 0.00000 0.02363 0.02363 -0.02363 169 3S 0.00000 0.00000 -0.07732 -0.07732 0.07732 170 4S 0.00000 0.00000 0.02181 0.02181 -0.02181 171 5S 0.00000 0.00000 1.97863 1.97863 -1.97863 172 6PX 0.00275 0.00000 0.00594 -0.01917 -0.00594 173 6PY -0.00275 -0.00275 -0.01917 0.00594 -0.00594 174 6PZ 0.00000 -0.00275 -0.00594 -0.00594 -0.01917 175 7PX 0.05040 0.00000 0.13676 0.06510 -0.13676 176 7PY -0.05040 -0.05040 0.06510 0.13676 -0.13676 177 7PZ 0.00000 -0.05040 -0.13676 -0.13676 0.06510 178 8PX -0.13583 0.00000 0.37537 0.26537 -0.37537 179 8PY 0.13583 0.13583 0.26537 0.37537 -0.37537 180 8PZ 0.00000 0.13583 -0.37537 -0.37537 0.26537 181 9D 0 0.00000 0.03942 -0.00267 -0.00267 -0.00533 182 9D+1 -0.01564 -0.01564 -0.03524 -0.03555 0.03555 183 9D-1 0.01564 0.00000 -0.03555 -0.03524 0.03555 184 9D+2 0.04552 0.02276 -0.00462 0.00462 0.00000 185 9D-2 0.00000 -0.01564 0.03555 0.03555 -0.03524 106 107 108 109 110 (E)--V (E)--V (A1)--V (T1)--V (T1)--V Eigenvalues -- 1.42906 1.42906 1.43232 1.59861 1.59861 1 1 Ni 1S 0.00000 0.00000 -0.00263 0.00000 0.00000 2 2S 0.00000 0.00000 0.01235 0.00000 0.00000 3 3S 0.00000 0.00000 -0.01468 0.00000 0.00000 4 4S 0.00000 0.00000 -0.10517 0.00000 0.00000 5 5S 0.00000 0.00000 1.85221 0.00000 0.00000 6 6S 0.00000 0.00000 2.71828 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 -0.03731 -0.02795 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.02795 -0.03731 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 -0.05827 -0.04365 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.04365 -0.05827 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.27543 0.20630 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 -0.20630 0.27543 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.05722 0.00000 0.00000 35 2S 0.00000 0.00000 0.17096 0.00000 0.00000 36 3S 0.00000 0.00000 -1.54717 0.00000 0.00000 37 4S 0.00000 0.00000 3.96138 0.00000 0.00000 38 5S 0.00000 0.00000 -1.80156 0.00000 0.00000 39 6PX -0.44312 0.18961 -0.14825 0.02647 -0.02647 40 6PY 0.05735 -0.47856 -0.14825 -0.02647 0.00000 41 6PZ 0.38577 0.28895 -0.14825 0.00000 0.02647 42 7PX 0.66786 -0.28578 0.70302 -0.05828 0.05828 43 7PY -0.08644 0.72127 0.70302 0.05828 0.00000 44 7PZ -0.58142 -0.43550 0.70302 0.00000 -0.05828 45 8PX -0.25921 0.11091 0.42272 0.11447 -0.11447 46 8PY 0.03355 -0.27994 0.42272 -0.11447 0.00000 47 8PZ 0.22566 0.16902 0.42272 0.00000 0.11447 48 9D 0 0.00360 0.00270 0.00000 0.00000 0.28314 49 9D+1 0.01531 -0.12779 0.03728 -0.24871 0.00000 50 9D-1 -0.11833 0.05063 0.03728 0.24871 -0.24871 51 9D+2 -0.00270 0.00360 0.00000 0.32694 -0.16347 52 9D-2 0.10301 0.07716 0.03728 0.00000 0.24871 53 3 C 1S 0.00000 0.00000 0.05722 0.00000 0.00000 54 2S 0.00000 0.00000 0.17096 0.00000 0.00000 55 3S 0.00000 0.00000 -1.54717 0.00000 0.00000 56 4S 0.00000 0.00000 3.96138 0.00000 0.00000 57 5S 0.00000 0.00000 -1.80156 0.00000 0.00000 58 6PX 0.44312 -0.18961 0.14825 -0.02647 -0.02647 59 6PY -0.05735 0.47856 0.14825 0.02647 0.00000 60 6PZ 0.38577 0.28895 -0.14825 0.00000 -0.02647 61 7PX -0.66786 0.28578 -0.70302 0.05828 0.05828 62 7PY 0.08644 -0.72127 -0.70302 -0.05828 0.00000 63 7PZ -0.58142 -0.43550 0.70302 0.00000 0.05828 64 8PX 0.25921 -0.11091 -0.42272 -0.11447 -0.11447 65 8PY -0.03355 0.27994 -0.42272 0.11447 0.00000 66 8PZ 0.22566 0.16902 0.42272 0.00000 -0.11447 67 9D 0 0.00360 0.00270 0.00000 0.00000 -0.28314 68 9D+1 -0.01531 0.12779 -0.03728 0.24871 0.00000 69 9D-1 0.11833 -0.05063 -0.03728 -0.24871 -0.24871 70 9D+2 -0.00270 0.00360 0.00000 0.32694 0.16347 71 9D-2 0.10301 0.07716 0.03728 0.00000 -0.24871 72 4 C 1S 0.00000 0.00000 0.05722 0.00000 0.00000 73 2S 0.00000 0.00000 0.17096 0.00000 0.00000 74 3S 0.00000 0.00000 -1.54717 0.00000 0.00000 75 4S 0.00000 0.00000 3.96138 0.00000 0.00000 76 5S 0.00000 0.00000 -1.80156 0.00000 0.00000 77 6PX 0.44312 -0.18961 0.14825 0.02647 0.02647 78 6PY 0.05735 -0.47856 -0.14825 0.02647 0.00000 79 6PZ -0.38577 -0.28895 0.14825 0.00000 -0.02647 80 7PX -0.66786 0.28578 -0.70302 -0.05828 -0.05828 81 7PY -0.08644 0.72127 0.70302 -0.05828 0.00000 82 7PZ 0.58142 0.43550 -0.70302 0.00000 0.05828 83 8PX 0.25921 -0.11091 -0.42272 0.11447 0.11447 84 8PY 0.03355 -0.27994 0.42272 0.11447 0.00000 85 8PZ -0.22566 -0.16902 -0.42272 0.00000 -0.11447 86 9D 0 0.00360 0.00270 0.00000 0.00000 0.28314 87 9D+1 0.01531 -0.12779 0.03728 0.24871 0.00000 88 9D-1 0.11833 -0.05063 -0.03728 0.24871 0.24871 89 9D+2 -0.00270 0.00360 0.00000 -0.32694 -0.16347 90 9D-2 -0.10301 -0.07716 -0.03728 0.00000 -0.24871 91 5 C 1S 0.00000 0.00000 0.05722 0.00000 0.00000 92 2S 0.00000 0.00000 0.17096 0.00000 0.00000 93 3S 0.00000 0.00000 -1.54717 0.00000 0.00000 94 4S 0.00000 0.00000 3.96138 0.00000 0.00000 95 5S 0.00000 0.00000 -1.80156 0.00000 0.00000 96 6PX -0.44312 0.18961 -0.14825 -0.02647 0.02647 97 6PY -0.05735 0.47856 0.14825 -0.02647 0.00000 98 6PZ -0.38577 -0.28895 0.14825 0.00000 0.02647 99 7PX 0.66786 -0.28578 0.70302 0.05828 -0.05828 100 7PY 0.08644 -0.72127 -0.70302 0.05828 0.00000 101 7PZ 0.58142 0.43550 -0.70302 0.00000 -0.05828 102 8PX -0.25921 0.11091 0.42272 -0.11447 0.11447 103 8PY -0.03355 0.27994 -0.42272 -0.11447 0.00000 104 8PZ -0.22566 -0.16902 -0.42272 0.00000 0.11447 105 9D 0 0.00360 0.00270 0.00000 0.00000 -0.28314 106 9D+1 -0.01531 0.12779 -0.03728 -0.24871 0.00000 107 9D-1 -0.11833 0.05063 0.03728 -0.24871 0.24871 108 9D+2 -0.00270 0.00360 0.00000 -0.32694 0.16347 109 9D-2 -0.10301 -0.07716 -0.03728 0.00000 0.24871 110 6 O 1S 0.00000 0.00000 -0.01129 0.00000 0.00000 111 2S 0.00000 0.00000 -0.03010 0.00000 0.00000 112 3S 0.00000 0.00000 0.11505 0.00000 0.00000 113 4S 0.00000 0.00000 -0.21902 0.00000 0.00000 114 5S 0.00000 0.00000 -2.00281 0.00000 0.00000 115 6PX -0.03211 0.01374 -0.03017 0.00469 -0.00469 116 6PY 0.00416 -0.03468 -0.03017 -0.00469 0.00000 117 6PZ 0.02796 0.02094 -0.03017 0.00000 0.00469 118 7PX -0.06567 0.02810 0.14437 -0.00333 0.00333 119 7PY 0.00850 -0.07092 0.14437 0.00333 0.00000 120 7PZ 0.05717 0.04282 0.14437 0.00000 -0.00333 121 8PX -0.00721 0.00309 0.51184 -0.05386 0.05386 122 8PY 0.00093 -0.00779 0.51184 0.05386 0.00000 123 8PZ 0.00628 0.00470 0.51184 0.00000 -0.05386 124 9D 0 0.01240 0.00929 0.00000 0.00000 0.03040 125 9D+1 0.00142 -0.01185 -0.06204 -0.06105 0.00000 126 9D-1 -0.01097 0.00469 -0.06204 0.06105 -0.06105 127 9D+2 -0.00929 0.01240 0.00000 0.03510 -0.01755 128 9D-2 0.00955 0.00715 -0.06204 0.00000 0.06105 129 7 O 1S 0.00000 0.00000 -0.01129 0.00000 0.00000 130 2S 0.00000 0.00000 -0.03010 0.00000 0.00000 131 3S 0.00000 0.00000 0.11505 0.00000 0.00000 132 4S 0.00000 0.00000 -0.21902 0.00000 0.00000 133 5S 0.00000 0.00000 -2.00281 0.00000 0.00000 134 6PX 0.03211 -0.01374 0.03017 0.00469 0.00469 135 6PY 0.00416 -0.03468 -0.03017 0.00469 0.00000 136 6PZ -0.02796 -0.02094 0.03017 0.00000 -0.00469 137 7PX 0.06567 -0.02810 -0.14437 -0.00333 -0.00333 138 7PY 0.00850 -0.07092 0.14437 -0.00333 0.00000 139 7PZ -0.05717 -0.04282 -0.14437 0.00000 0.00333 140 8PX 0.00721 -0.00309 -0.51184 -0.05386 -0.05386 141 8PY 0.00093 -0.00779 0.51184 -0.05386 0.00000 142 8PZ -0.00628 -0.00470 -0.51184 0.00000 0.05386 143 9D 0 0.01240 0.00929 0.00000 0.00000 0.03040 144 9D+1 0.00142 -0.01185 -0.06204 0.06105 0.00000 145 9D-1 0.01097 -0.00469 0.06204 0.06105 0.06105 146 9D+2 -0.00929 0.01240 0.00000 -0.03510 -0.01755 147 9D-2 -0.00955 -0.00715 0.06204 0.00000 -0.06105 148 8 O 1S 0.00000 0.00000 -0.01129 0.00000 0.00000 149 2S 0.00000 0.00000 -0.03010 0.00000 0.00000 150 3S 0.00000 0.00000 0.11505 0.00000 0.00000 151 4S 0.00000 0.00000 -0.21902 0.00000 0.00000 152 5S 0.00000 0.00000 -2.00281 0.00000 0.00000 153 6PX -0.03211 0.01374 -0.03017 -0.00469 0.00469 154 6PY -0.00416 0.03468 0.03017 -0.00469 0.00000 155 6PZ -0.02796 -0.02094 0.03017 0.00000 0.00469 156 7PX -0.06567 0.02810 0.14437 0.00333 -0.00333 157 7PY -0.00850 0.07092 -0.14437 0.00333 0.00000 158 7PZ -0.05717 -0.04282 -0.14437 0.00000 -0.00333 159 8PX -0.00721 0.00309 0.51184 0.05386 -0.05386 160 8PY -0.00093 0.00779 -0.51184 0.05386 0.00000 161 8PZ -0.00628 -0.00470 -0.51184 0.00000 -0.05386 162 9D 0 0.01240 0.00929 0.00000 0.00000 -0.03040 163 9D+1 -0.00142 0.01185 0.06204 -0.06105 0.00000 164 9D-1 -0.01097 0.00469 -0.06204 -0.06105 0.06105 165 9D+2 -0.00929 0.01240 0.00000 -0.03510 0.01755 166 9D-2 -0.00955 -0.00715 0.06204 0.00000 0.06105 167 9 O 1S 0.00000 0.00000 -0.01129 0.00000 0.00000 168 2S 0.00000 0.00000 -0.03010 0.00000 0.00000 169 3S 0.00000 0.00000 0.11505 0.00000 0.00000 170 4S 0.00000 0.00000 -0.21902 0.00000 0.00000 171 5S 0.00000 0.00000 -2.00281 0.00000 0.00000 172 6PX 0.03211 -0.01374 0.03017 -0.00469 -0.00469 173 6PY -0.00416 0.03468 0.03017 0.00469 0.00000 174 6PZ 0.02796 0.02094 -0.03017 0.00000 -0.00469 175 7PX 0.06567 -0.02810 -0.14437 0.00333 0.00333 176 7PY -0.00850 0.07092 -0.14437 -0.00333 0.00000 177 7PZ 0.05717 0.04282 0.14437 0.00000 0.00333 178 8PX 0.00721 -0.00309 -0.51184 0.05386 0.05386 179 8PY -0.00093 0.00779 -0.51184 -0.05386 0.00000 180 8PZ 0.00628 0.00470 0.51184 0.00000 0.05386 181 9D 0 0.01240 0.00929 0.00000 0.00000 -0.03040 182 9D+1 -0.00142 0.01185 0.06204 0.06105 0.00000 183 9D-1 0.01097 -0.00469 0.06204 -0.06105 -0.06105 184 9D+2 -0.00929 0.01240 0.00000 0.03510 0.01755 185 9D-2 0.00955 0.00715 -0.06204 0.00000 -0.06105 111 112 113 114 115 (T1)--V (E)--V (E)--V (T2)--V (T2)--V Eigenvalues -- 1.59861 1.60716 1.60716 1.61025 1.61025 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 -0.01509 8 7PY 0.00000 0.00000 0.00000 -0.01509 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.06072 11 8PY 0.00000 0.00000 0.00000 0.06072 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.16453 14 9PY 0.00000 0.00000 0.00000 -0.16453 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 1.96001 17 10PY 0.00000 0.00000 0.00000 1.96001 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.01115 0.00682 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.04907 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.04907 22 11D+2 0.00000 -0.00682 0.01115 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00315 0.00193 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.11953 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.11953 27 12D+2 0.00000 -0.00193 0.00315 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 -0.03782 -0.02314 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.73547 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.73547 32 13D+2 0.00000 0.02314 -0.03782 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00864 0.00864 35 2S 0.00000 0.00000 0.00000 0.02144 0.02144 36 3S 0.00000 0.00000 0.00000 -0.25891 -0.25891 37 4S 0.00000 0.00000 0.00000 1.20094 1.20094 38 5S 0.00000 0.00000 0.00000 -0.70333 -0.70333 39 6PX 0.00000 0.10980 -0.05973 -0.18630 0.01991 40 6PY -0.02647 -0.00318 0.12496 0.01991 -0.18630 41 6PZ 0.02647 -0.10663 -0.06523 -0.18630 -0.18630 42 7PX 0.00000 -0.17207 0.09359 0.78057 0.42045 43 7PY 0.05828 0.00498 -0.19581 0.42045 0.78057 44 7PZ -0.05828 0.16709 0.10222 0.78057 0.78057 45 8PX 0.00000 0.09908 -0.05389 0.49166 0.65082 46 8PY -0.11447 -0.00287 0.11276 0.65082 0.49166 47 8PZ 0.11447 -0.09622 -0.05886 0.49166 0.49166 48 9D 0 0.28314 0.29830 0.18249 -0.06186 -0.06186 49 9D+1 -0.24871 0.00643 -0.25267 0.32476 -0.14683 50 9D-1 0.00000 -0.22203 0.12077 -0.14683 0.32476 51 9D+2 0.16347 -0.18249 0.29830 -0.10715 0.10715 52 9D-2 0.24871 0.21561 0.13190 -0.14683 -0.14683 53 3 C 1S 0.00000 0.00000 0.00000 -0.00864 -0.00864 54 2S 0.00000 0.00000 0.00000 -0.02144 -0.02144 55 3S 0.00000 0.00000 0.00000 0.25891 0.25891 56 4S 0.00000 0.00000 0.00000 -1.20094 -1.20094 57 5S 0.00000 0.00000 0.00000 0.70333 0.70333 58 6PX 0.00000 -0.10980 0.05973 -0.18630 0.01991 59 6PY -0.02647 0.00318 -0.12496 0.01991 -0.18630 60 6PZ -0.02647 -0.10663 -0.06523 0.18630 0.18630 61 7PX 0.00000 0.17207 -0.09359 0.78057 0.42045 62 7PY 0.05828 -0.00498 0.19581 0.42045 0.78057 63 7PZ 0.05828 0.16709 0.10222 -0.78057 -0.78057 64 8PX 0.00000 -0.09908 0.05389 0.49166 0.65082 65 8PY -0.11447 0.00287 -0.11276 0.65082 0.49166 66 8PZ -0.11447 -0.09622 -0.05886 -0.49166 -0.49166 67 9D 0 -0.28314 0.29830 0.18249 0.06186 0.06186 68 9D+1 -0.24871 -0.00643 0.25267 0.32476 -0.14683 69 9D-1 0.00000 0.22203 -0.12077 -0.14683 0.32476 70 9D+2 -0.16347 -0.18249 0.29830 0.10715 -0.10715 71 9D-2 -0.24871 0.21561 0.13190 0.14683 0.14683 72 4 C 1S 0.00000 0.00000 0.00000 0.00864 -0.00864 73 2S 0.00000 0.00000 0.00000 0.02144 -0.02144 74 3S 0.00000 0.00000 0.00000 -0.25891 0.25891 75 4S 0.00000 0.00000 0.00000 1.20094 -1.20094 76 5S 0.00000 0.00000 0.00000 -0.70333 0.70333 77 6PX 0.00000 -0.10980 0.05973 0.18630 0.01991 78 6PY 0.02647 -0.00318 0.12496 0.01991 0.18630 79 6PZ 0.02647 0.10663 0.06523 0.18630 -0.18630 80 7PX 0.00000 0.17207 -0.09359 -0.78057 0.42045 81 7PY -0.05828 0.00498 -0.19581 0.42045 -0.78057 82 7PZ -0.05828 -0.16709 -0.10222 -0.78057 0.78057 83 8PX 0.00000 -0.09908 0.05389 -0.49166 0.65082 84 8PY 0.11447 -0.00287 0.11276 0.65082 -0.49166 85 8PZ 0.11447 0.09622 0.05886 -0.49166 0.49166 86 9D 0 -0.28314 0.29830 0.18249 -0.06186 0.06186 87 9D+1 0.24871 0.00643 -0.25267 0.32476 0.14683 88 9D-1 0.00000 0.22203 -0.12077 0.14683 0.32476 89 9D+2 -0.16347 -0.18249 0.29830 -0.10715 -0.10715 90 9D-2 0.24871 -0.21561 -0.13190 0.14683 -0.14683 91 5 C 1S 0.00000 0.00000 0.00000 -0.00864 0.00864 92 2S 0.00000 0.00000 0.00000 -0.02144 0.02144 93 3S 0.00000 0.00000 0.00000 0.25891 -0.25891 94 4S 0.00000 0.00000 0.00000 -1.20094 1.20094 95 5S 0.00000 0.00000 0.00000 0.70333 -0.70333 96 6PX 0.00000 0.10980 -0.05973 0.18630 0.01991 97 6PY 0.02647 0.00318 -0.12496 0.01991 0.18630 98 6PZ -0.02647 0.10663 0.06523 -0.18630 0.18630 99 7PX 0.00000 -0.17207 0.09359 -0.78057 0.42045 100 7PY -0.05828 -0.00498 0.19581 0.42045 -0.78057 101 7PZ 0.05828 -0.16709 -0.10222 0.78057 -0.78057 102 8PX 0.00000 0.09908 -0.05389 -0.49166 0.65082 103 8PY 0.11447 0.00287 -0.11276 0.65082 -0.49166 104 8PZ -0.11447 0.09622 0.05886 0.49166 -0.49166 105 9D 0 0.28314 0.29830 0.18249 0.06186 -0.06186 106 9D+1 0.24871 -0.00643 0.25267 0.32476 0.14683 107 9D-1 0.00000 -0.22203 0.12077 0.14683 0.32476 108 9D+2 0.16347 -0.18249 0.29830 0.10715 0.10715 109 9D-2 -0.24871 -0.21561 -0.13190 -0.14683 0.14683 110 6 O 1S 0.00000 0.00000 0.00000 -0.00315 -0.00315 111 2S 0.00000 0.00000 0.00000 -0.00912 -0.00912 112 3S 0.00000 0.00000 0.00000 0.05478 0.05478 113 4S 0.00000 0.00000 0.00000 -0.20132 -0.20132 114 5S 0.00000 0.00000 0.00000 -1.41248 -1.41248 115 6PX 0.00000 0.03426 -0.01863 0.00040 0.05401 116 6PY -0.00469 -0.00099 0.03899 0.05401 0.00040 117 6PZ 0.00469 -0.03327 -0.02035 0.00040 0.00040 118 7PX 0.00000 0.02029 -0.01104 0.10222 0.14674 119 7PY 0.00333 -0.00059 0.02309 0.14674 0.10222 120 7PZ -0.00333 -0.01971 -0.01206 0.10222 0.10222 121 8PX 0.00000 -0.01938 0.01054 0.20780 0.20934 122 8PY 0.05386 0.00056 -0.02206 0.20934 0.20780 123 8PZ -0.05386 0.01882 0.01151 0.20780 0.20780 124 9D 0 0.03040 0.02506 0.01533 -0.03533 -0.03533 125 9D+1 -0.06105 0.00180 -0.07062 -0.00305 -0.05042 126 9D-1 0.00000 -0.06206 0.03376 -0.05042 -0.00305 127 9D+2 0.01755 -0.01533 0.02506 -0.06119 0.06119 128 9D-2 0.06105 0.06026 0.03687 -0.05042 -0.05042 129 7 O 1S 0.00000 0.00000 0.00000 -0.00315 0.00315 130 2S 0.00000 0.00000 0.00000 -0.00912 0.00912 131 3S 0.00000 0.00000 0.00000 0.05478 -0.05478 132 4S 0.00000 0.00000 0.00000 -0.20132 0.20132 133 5S 0.00000 0.00000 0.00000 -1.41248 1.41248 134 6PX 0.00000 -0.03426 0.01863 -0.00040 0.05401 135 6PY 0.00469 -0.00099 0.03899 0.05401 -0.00040 136 6PZ 0.00469 0.03327 0.02035 -0.00040 0.00040 137 7PX 0.00000 -0.02029 0.01104 -0.10222 0.14674 138 7PY -0.00333 -0.00059 0.02309 0.14674 -0.10222 139 7PZ -0.00333 0.01971 0.01206 -0.10222 0.10222 140 8PX 0.00000 0.01938 -0.01054 -0.20780 0.20934 141 8PY -0.05386 0.00056 -0.02206 0.20934 -0.20780 142 8PZ -0.05386 -0.01882 -0.01151 -0.20780 0.20780 143 9D 0 -0.03040 0.02506 0.01533 -0.03533 0.03533 144 9D+1 0.06105 0.00180 -0.07062 -0.00305 0.05042 145 9D-1 0.00000 0.06206 -0.03376 0.05042 -0.00305 146 9D+2 -0.01755 -0.01533 0.02506 -0.06119 -0.06119 147 9D-2 0.06105 -0.06026 -0.03687 0.05042 -0.05042 148 8 O 1S 0.00000 0.00000 0.00000 0.00315 -0.00315 149 2S 0.00000 0.00000 0.00000 0.00912 -0.00912 150 3S 0.00000 0.00000 0.00000 -0.05478 0.05478 151 4S 0.00000 0.00000 0.00000 0.20132 -0.20132 152 5S 0.00000 0.00000 0.00000 1.41248 -1.41248 153 6PX 0.00000 0.03426 -0.01863 -0.00040 0.05401 154 6PY 0.00469 0.00099 -0.03899 0.05401 -0.00040 155 6PZ -0.00469 0.03327 0.02035 0.00040 -0.00040 156 7PX 0.00000 0.02029 -0.01104 -0.10222 0.14674 157 7PY -0.00333 0.00059 -0.02309 0.14674 -0.10222 158 7PZ 0.00333 0.01971 0.01206 0.10222 -0.10222 159 8PX 0.00000 -0.01938 0.01054 -0.20780 0.20934 160 8PY -0.05386 -0.00056 0.02206 0.20934 -0.20780 161 8PZ 0.05386 -0.01882 -0.01151 0.20780 -0.20780 162 9D 0 0.03040 0.02506 0.01533 0.03533 -0.03533 163 9D+1 0.06105 -0.00180 0.07062 -0.00305 0.05042 164 9D-1 0.00000 -0.06206 0.03376 0.05042 -0.00305 165 9D+2 0.01755 -0.01533 0.02506 0.06119 0.06119 166 9D-2 -0.06105 -0.06026 -0.03687 -0.05042 0.05042 167 9 O 1S 0.00000 0.00000 0.00000 0.00315 0.00315 168 2S 0.00000 0.00000 0.00000 0.00912 0.00912 169 3S 0.00000 0.00000 0.00000 -0.05478 -0.05478 170 4S 0.00000 0.00000 0.00000 0.20132 0.20132 171 5S 0.00000 0.00000 0.00000 1.41248 1.41248 172 6PX 0.00000 -0.03426 0.01863 0.00040 0.05401 173 6PY -0.00469 0.00099 -0.03899 0.05401 0.00040 174 6PZ -0.00469 -0.03327 -0.02035 -0.00040 -0.00040 175 7PX 0.00000 -0.02029 0.01104 0.10222 0.14674 176 7PY 0.00333 0.00059 -0.02309 0.14674 0.10222 177 7PZ 0.00333 -0.01971 -0.01206 -0.10222 -0.10222 178 8PX 0.00000 0.01938 -0.01054 0.20780 0.20934 179 8PY 0.05386 -0.00056 0.02206 0.20934 0.20780 180 8PZ 0.05386 0.01882 0.01151 -0.20780 -0.20780 181 9D 0 -0.03040 0.02506 0.01533 0.03533 0.03533 182 9D+1 -0.06105 -0.00180 0.07062 -0.00305 -0.05042 183 9D-1 0.00000 0.06206 -0.03376 -0.05042 -0.00305 184 9D+2 -0.01755 -0.01533 0.02506 0.06119 -0.06119 185 9D-2 -0.06105 0.06026 0.03687 0.05042 0.05042 116 117 118 119 120 (T2)--V (T1)--V (T1)--V (T1)--V (T2)--V Eigenvalues -- 1.61025 1.66011 1.66011 1.66011 1.73352 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.04501 9 7PZ -0.01509 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.16560 12 8PZ 0.06072 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.26451 15 9PZ -0.16453 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 1.47892 18 10PZ 1.96001 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.17525 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 -0.04907 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.17030 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -0.11953 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 1.14201 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.73547 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00864 0.00000 0.00000 0.00000 -0.00155 35 2S 0.02144 0.00000 0.00000 0.00000 -0.01298 36 3S -0.25891 0.00000 0.00000 0.00000 0.12516 37 4S 1.20094 0.00000 0.00000 0.00000 0.05486 38 5S -0.70333 0.00000 0.00000 0.00000 -0.05355 39 6PX -0.18630 0.15429 0.00000 -0.15429 -0.09143 40 6PY -0.18630 0.00000 0.15429 0.15429 -0.02017 41 6PZ 0.01991 -0.15429 -0.15429 0.00000 -0.09143 42 7PX 0.78057 -0.21520 0.00000 0.21520 0.64002 43 7PY 0.78057 0.00000 -0.21520 -0.21520 0.56704 44 7PZ 0.42045 0.21520 0.21520 0.00000 0.64002 45 8PX 0.49166 0.14943 0.00000 -0.14943 0.13825 46 8PY 0.49166 0.00000 0.14943 0.14943 0.02670 47 8PZ 0.65082 -0.14943 -0.14943 0.00000 0.13825 48 9D 0 0.12373 0.27616 0.27616 0.00000 0.19552 49 9D+1 -0.14683 0.00000 0.20612 0.20612 0.02127 50 9D-1 -0.14683 0.20612 0.00000 -0.20612 0.03855 51 9D+2 0.00000 -0.15944 0.15944 0.31888 0.33866 52 9D-2 0.32476 -0.20612 -0.20612 0.00000 0.03855 53 3 C 1S 0.00864 0.00000 0.00000 0.00000 0.00155 54 2S 0.02144 0.00000 0.00000 0.00000 0.01298 55 3S -0.25891 0.00000 0.00000 0.00000 -0.12516 56 4S 1.20094 0.00000 0.00000 0.00000 -0.05486 57 5S -0.70333 0.00000 0.00000 0.00000 0.05355 58 6PX 0.18630 0.15429 0.00000 0.15429 -0.09143 59 6PY 0.18630 0.00000 0.15429 -0.15429 -0.02017 60 6PZ 0.01991 0.15429 0.15429 0.00000 0.09143 61 7PX -0.78057 -0.21520 0.00000 -0.21520 0.64002 62 7PY -0.78057 0.00000 -0.21520 0.21520 0.56704 63 7PZ 0.42045 -0.21520 -0.21520 0.00000 -0.64002 64 8PX -0.49166 0.14943 0.00000 0.14943 0.13825 65 8PY -0.49166 0.00000 0.14943 -0.14943 0.02670 66 8PZ 0.65082 0.14943 0.14943 0.00000 -0.13825 67 9D 0 0.12373 -0.27616 -0.27616 0.00000 -0.19552 68 9D+1 0.14683 0.00000 0.20612 -0.20612 0.02127 69 9D-1 0.14683 0.20612 0.00000 0.20612 0.03855 70 9D+2 0.00000 0.15944 -0.15944 0.31888 -0.33866 71 9D-2 0.32476 0.20612 0.20612 0.00000 -0.03855 72 4 C 1S -0.00864 0.00000 0.00000 0.00000 -0.00155 73 2S -0.02144 0.00000 0.00000 0.00000 -0.01298 74 3S 0.25891 0.00000 0.00000 0.00000 0.12516 75 4S -1.20094 0.00000 0.00000 0.00000 0.05486 76 5S 0.70333 0.00000 0.00000 0.00000 -0.05355 77 6PX -0.18630 -0.15429 0.00000 -0.15429 0.09143 78 6PY 0.18630 0.00000 -0.15429 -0.15429 -0.02017 79 6PZ 0.01991 0.15429 -0.15429 0.00000 0.09143 80 7PX 0.78057 0.21520 0.00000 0.21520 -0.64002 81 7PY -0.78057 0.00000 0.21520 0.21520 0.56704 82 7PZ 0.42045 -0.21520 0.21520 0.00000 -0.64002 83 8PX 0.49166 -0.14943 0.00000 -0.14943 -0.13825 84 8PY -0.49166 0.00000 -0.14943 -0.14943 0.02670 85 8PZ 0.65082 0.14943 -0.14943 0.00000 -0.13825 86 9D 0 -0.12373 0.27616 -0.27616 0.00000 0.19552 87 9D+1 0.14683 0.00000 -0.20612 -0.20612 0.02127 88 9D-1 -0.14683 -0.20612 0.00000 -0.20612 -0.03855 89 9D+2 0.00000 -0.15944 -0.15944 -0.31888 0.33866 90 9D-2 0.32476 0.20612 -0.20612 0.00000 -0.03855 91 5 C 1S -0.00864 0.00000 0.00000 0.00000 0.00155 92 2S -0.02144 0.00000 0.00000 0.00000 0.01298 93 3S 0.25891 0.00000 0.00000 0.00000 -0.12516 94 4S -1.20094 0.00000 0.00000 0.00000 -0.05486 95 5S 0.70333 0.00000 0.00000 0.00000 0.05355 96 6PX 0.18630 -0.15429 0.00000 0.15429 0.09143 97 6PY -0.18630 0.00000 -0.15429 0.15429 -0.02017 98 6PZ 0.01991 -0.15429 0.15429 0.00000 -0.09143 99 7PX -0.78057 0.21520 0.00000 -0.21520 -0.64002 100 7PY 0.78057 0.00000 0.21520 -0.21520 0.56704 101 7PZ 0.42045 0.21520 -0.21520 0.00000 0.64002 102 8PX -0.49166 -0.14943 0.00000 0.14943 -0.13825 103 8PY 0.49166 0.00000 -0.14943 0.14943 0.02670 104 8PZ 0.65082 -0.14943 0.14943 0.00000 0.13825 105 9D 0 -0.12373 -0.27616 0.27616 0.00000 -0.19552 106 9D+1 -0.14683 0.00000 -0.20612 0.20612 0.02127 107 9D-1 0.14683 -0.20612 0.00000 0.20612 -0.03855 108 9D+2 0.00000 0.15944 0.15944 -0.31888 -0.33866 109 9D-2 0.32476 -0.20612 0.20612 0.00000 0.03855 110 6 O 1S -0.00315 0.00000 0.00000 0.00000 0.00192 111 2S -0.00912 0.00000 0.00000 0.00000 0.00352 112 3S 0.05478 0.00000 0.00000 0.00000 0.03961 113 4S -0.20132 0.00000 0.00000 0.00000 -0.35489 114 5S -1.41248 0.00000 0.00000 0.00000 -0.58509 115 6PX 0.00040 0.08332 0.00000 -0.08332 -0.01854 116 6PY 0.00040 0.00000 0.08332 0.08332 0.07021 117 6PZ 0.05401 -0.08332 -0.08332 0.00000 -0.01854 118 7PX 0.10222 0.05870 0.00000 -0.05870 0.11633 119 7PY 0.10222 0.00000 0.05870 0.05870 0.16736 120 7PZ 0.14674 -0.05870 -0.05870 0.00000 0.11633 121 8PX 0.20780 -0.02305 0.00000 0.02305 0.08722 122 8PY 0.20780 0.00000 -0.02305 -0.02305 0.15630 123 8PZ 0.20934 0.02305 0.02305 0.00000 0.08722 124 9D 0 0.07065 -0.09077 -0.09077 0.00000 -0.02815 125 9D+1 -0.05042 0.00000 -0.04314 -0.04314 -0.10859 126 9D-1 -0.05042 -0.04314 0.00000 0.04314 0.02705 127 9D+2 0.00000 0.05241 -0.05241 -0.10482 -0.04875 128 9D-2 -0.00305 0.04314 0.04314 0.00000 0.02705 129 7 O 1S 0.00315 0.00000 0.00000 0.00000 0.00192 130 2S 0.00912 0.00000 0.00000 0.00000 0.00352 131 3S -0.05478 0.00000 0.00000 0.00000 0.03961 132 4S 0.20132 0.00000 0.00000 0.00000 -0.35489 133 5S 1.41248 0.00000 0.00000 0.00000 -0.58509 134 6PX 0.00040 -0.08332 0.00000 -0.08332 0.01854 135 6PY -0.00040 0.00000 -0.08332 -0.08332 0.07021 136 6PZ 0.05401 0.08332 -0.08332 0.00000 0.01854 137 7PX 0.10222 -0.05870 0.00000 -0.05870 -0.11633 138 7PY -0.10222 0.00000 -0.05870 -0.05870 0.16736 139 7PZ 0.14674 0.05870 -0.05870 0.00000 -0.11633 140 8PX 0.20780 0.02305 0.00000 0.02305 -0.08722 141 8PY -0.20780 0.00000 0.02305 0.02305 0.15630 142 8PZ 0.20934 -0.02305 0.02305 0.00000 -0.08722 143 9D 0 -0.07065 -0.09077 0.09077 0.00000 -0.02815 144 9D+1 0.05042 0.00000 0.04314 0.04314 -0.10859 145 9D-1 -0.05042 0.04314 0.00000 0.04314 -0.02705 146 9D+2 0.00000 0.05241 0.05241 0.10482 -0.04875 147 9D-2 -0.00305 -0.04314 0.04314 0.00000 -0.02705 148 8 O 1S 0.00315 0.00000 0.00000 0.00000 -0.00192 149 2S 0.00912 0.00000 0.00000 0.00000 -0.00352 150 3S -0.05478 0.00000 0.00000 0.00000 -0.03961 151 4S 0.20132 0.00000 0.00000 0.00000 0.35489 152 5S 1.41248 0.00000 0.00000 0.00000 0.58509 153 6PX -0.00040 -0.08332 0.00000 0.08332 0.01854 154 6PY 0.00040 0.00000 -0.08332 0.08332 0.07021 155 6PZ 0.05401 -0.08332 0.08332 0.00000 -0.01854 156 7PX -0.10222 -0.05870 0.00000 0.05870 -0.11633 157 7PY 0.10222 0.00000 -0.05870 0.05870 0.16736 158 7PZ 0.14674 -0.05870 0.05870 0.00000 0.11633 159 8PX -0.20780 0.02305 0.00000 -0.02305 -0.08722 160 8PY 0.20780 0.00000 0.02305 -0.02305 0.15630 161 8PZ 0.20934 0.02305 -0.02305 0.00000 0.08722 162 9D 0 -0.07065 0.09077 -0.09077 0.00000 0.02815 163 9D+1 -0.05042 0.00000 0.04314 -0.04314 -0.10859 164 9D-1 0.05042 0.04314 0.00000 -0.04314 -0.02705 165 9D+2 0.00000 -0.05241 -0.05241 0.10482 0.04875 166 9D-2 -0.00305 0.04314 -0.04314 0.00000 0.02705 167 9 O 1S -0.00315 0.00000 0.00000 0.00000 -0.00192 168 2S -0.00912 0.00000 0.00000 0.00000 -0.00352 169 3S 0.05478 0.00000 0.00000 0.00000 -0.03961 170 4S -0.20132 0.00000 0.00000 0.00000 0.35489 171 5S -1.41248 0.00000 0.00000 0.00000 0.58509 172 6PX -0.00040 0.08332 0.00000 0.08332 -0.01854 173 6PY -0.00040 0.00000 0.08332 -0.08332 0.07021 174 6PZ 0.05401 0.08332 0.08332 0.00000 0.01854 175 7PX -0.10222 0.05870 0.00000 0.05870 0.11633 176 7PY -0.10222 0.00000 0.05870 -0.05870 0.16736 177 7PZ 0.14674 0.05870 0.05870 0.00000 -0.11633 178 8PX -0.20780 -0.02305 0.00000 -0.02305 0.08722 179 8PY -0.20780 0.00000 -0.02305 0.02305 0.15630 180 8PZ 0.20934 -0.02305 -0.02305 0.00000 -0.08722 181 9D 0 0.07065 0.09077 0.09077 0.00000 0.02815 182 9D+1 0.05042 0.00000 -0.04314 0.04314 -0.10859 183 9D-1 0.05042 -0.04314 0.00000 -0.04314 0.02705 184 9D+2 0.00000 -0.05241 0.05241 -0.10482 0.04875 185 9D-2 -0.00305 -0.04314 -0.04314 0.00000 -0.02705 121 122 123 124 125 (T2)--V (T2)--V (E)--V (E)--V (T2)--V Eigenvalues -- 1.73352 1.73352 1.90338 1.90338 1.92825 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX -0.04501 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.04263 9 7PZ 0.00000 -0.04501 0.00000 0.00000 0.00000 10 8PX 0.16560 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.17485 12 8PZ 0.00000 0.16560 0.00000 0.00000 0.00000 13 9PX -0.26451 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.44979 15 9PZ 0.00000 -0.26451 0.00000 0.00000 0.00000 16 10PX 1.47892 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 3.33423 18 10PZ 0.00000 1.47892 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 -0.18148 -0.04714 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.05970 21 11D-1 -0.17525 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.04714 -0.18148 0.00000 23 11D-2 0.00000 -0.17525 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 -0.08527 -0.02215 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.15817 26 12D-1 -0.17030 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.02215 -0.08527 0.00000 28 12D-2 0.00000 -0.17030 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.64614 0.16783 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 1.24602 31 13D-1 1.14201 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 -0.16783 0.64614 0.00000 33 13D-2 0.00000 1.14201 0.00000 0.00000 0.00000 34 2 C 1S -0.00155 -0.00155 0.00000 0.00000 -0.01983 35 2S -0.01298 -0.01298 0.00000 0.00000 -0.06994 36 3S 0.12516 0.12516 0.00000 0.00000 0.58847 37 4S 0.05486 0.05486 0.00000 0.00000 -0.56293 38 5S -0.05355 -0.05355 0.00000 0.00000 0.12413 39 6PX -0.02017 -0.09143 -0.05742 0.05830 -0.26796 40 6PY -0.09143 -0.09143 -0.02178 -0.07887 -0.09894 41 6PZ -0.09143 -0.02017 0.07920 0.02057 -0.26796 42 7PX 0.56704 0.64002 0.17273 -0.17540 1.26241 43 7PY 0.64002 0.64002 0.06554 0.23729 0.83358 44 7PZ 0.64002 0.56704 -0.23827 -0.06189 1.26241 45 8PX 0.02670 0.13825 -0.03897 0.03958 0.23144 46 8PY 0.13825 0.13825 -0.01479 -0.05354 -0.11331 47 8PZ 0.13825 0.02670 0.05376 0.01396 0.23144 48 9D 0 0.19552 -0.39105 0.27435 0.07126 -0.08633 49 9D+1 0.03855 0.03855 0.06648 0.24071 -0.16838 50 9D-1 0.02127 0.03855 0.17522 -0.17793 0.12479 51 9D+2 -0.33866 0.00000 -0.07126 0.27435 -0.14952 52 9D-2 0.03855 0.02127 -0.24170 -0.06278 0.12479 53 3 C 1S 0.00155 -0.00155 0.00000 0.00000 0.01983 54 2S 0.01298 -0.01298 0.00000 0.00000 0.06994 55 3S -0.12516 0.12516 0.00000 0.00000 -0.58847 56 4S -0.05486 0.05486 0.00000 0.00000 0.56293 57 5S 0.05355 -0.05355 0.00000 0.00000 -0.12413 58 6PX -0.02017 0.09143 0.05742 -0.05830 -0.26796 59 6PY -0.09143 0.09143 0.02178 0.07887 -0.09894 60 6PZ 0.09143 -0.02017 0.07920 0.02057 0.26796 61 7PX 0.56704 -0.64002 -0.17273 0.17540 1.26241 62 7PY 0.64002 -0.64002 -0.06554 -0.23729 0.83358 63 7PZ -0.64002 0.56704 -0.23827 -0.06189 -1.26241 64 8PX 0.02670 -0.13825 0.03897 -0.03958 0.23144 65 8PY 0.13825 -0.13825 0.01479 0.05354 -0.11331 66 8PZ -0.13825 0.02670 0.05376 0.01396 -0.23144 67 9D 0 -0.19552 -0.39105 0.27435 0.07126 0.08633 68 9D+1 0.03855 -0.03855 -0.06648 -0.24071 -0.16838 69 9D-1 0.02127 -0.03855 -0.17522 0.17793 0.12479 70 9D+2 0.33866 0.00000 -0.07126 0.27435 0.14952 71 9D-2 -0.03855 0.02127 -0.24170 -0.06278 -0.12479 72 4 C 1S 0.00155 0.00155 0.00000 0.00000 -0.01983 73 2S 0.01298 0.01298 0.00000 0.00000 -0.06994 74 3S -0.12516 -0.12516 0.00000 0.00000 0.58847 75 4S -0.05486 -0.05486 0.00000 0.00000 -0.56293 76 5S 0.05355 0.05355 0.00000 0.00000 0.12413 77 6PX -0.02017 -0.09143 0.05742 -0.05830 0.26796 78 6PY 0.09143 0.09143 -0.02178 -0.07887 -0.09894 79 6PZ -0.09143 -0.02017 -0.07920 -0.02057 0.26796 80 7PX 0.56704 0.64002 -0.17273 0.17540 -1.26241 81 7PY -0.64002 -0.64002 0.06554 0.23729 0.83358 82 7PZ 0.64002 0.56704 0.23827 0.06189 -1.26241 83 8PX 0.02670 0.13825 0.03897 -0.03958 -0.23144 84 8PY -0.13825 -0.13825 -0.01479 -0.05354 -0.11331 85 8PZ 0.13825 0.02670 -0.05376 -0.01396 -0.23144 86 9D 0 -0.19552 0.39105 0.27435 0.07126 -0.08633 87 9D+1 -0.03855 -0.03855 0.06648 0.24071 -0.16838 88 9D-1 0.02127 0.03855 -0.17522 0.17793 -0.12479 89 9D+2 0.33866 0.00000 -0.07126 0.27435 -0.14952 90 9D-2 0.03855 0.02127 0.24170 0.06278 -0.12479 91 5 C 1S -0.00155 0.00155 0.00000 0.00000 0.01983 92 2S -0.01298 0.01298 0.00000 0.00000 0.06994 93 3S 0.12516 -0.12516 0.00000 0.00000 -0.58847 94 4S 0.05486 -0.05486 0.00000 0.00000 0.56293 95 5S -0.05355 0.05355 0.00000 0.00000 -0.12413 96 6PX -0.02017 0.09143 -0.05742 0.05830 0.26796 97 6PY 0.09143 -0.09143 0.02178 0.07887 -0.09894 98 6PZ 0.09143 -0.02017 -0.07920 -0.02057 -0.26796 99 7PX 0.56704 -0.64002 0.17273 -0.17540 -1.26241 100 7PY -0.64002 0.64002 -0.06554 -0.23729 0.83358 101 7PZ -0.64002 0.56704 0.23827 0.06189 1.26241 102 8PX 0.02670 -0.13825 -0.03897 0.03958 -0.23144 103 8PY -0.13825 0.13825 0.01479 0.05354 -0.11331 104 8PZ -0.13825 0.02670 -0.05376 -0.01396 0.23144 105 9D 0 0.19552 0.39105 0.27435 0.07126 0.08633 106 9D+1 -0.03855 0.03855 -0.06648 -0.24071 -0.16838 107 9D-1 0.02127 -0.03855 0.17522 -0.17793 -0.12479 108 9D+2 -0.33866 0.00000 -0.07126 0.27435 0.14952 109 9D-2 -0.03855 0.02127 0.24170 0.06278 0.12479 110 6 O 1S 0.00192 0.00192 0.00000 0.00000 0.00308 111 2S 0.00352 0.00352 0.00000 0.00000 0.00726 112 3S 0.03961 0.03961 0.00000 0.00000 0.03023 113 4S -0.35489 -0.35489 0.00000 0.00000 -0.48718 114 5S -0.58509 -0.58509 0.00000 0.00000 -0.96725 115 6PX 0.07021 -0.01854 0.04957 -0.05033 0.06917 116 6PY -0.01854 -0.01854 0.01881 0.06809 -0.04488 117 6PZ -0.01854 0.07021 -0.06838 -0.01776 0.06917 118 7PX 0.16736 0.11633 0.01884 -0.01913 0.16567 119 7PY 0.11633 0.11633 0.00715 0.02588 0.16497 120 7PZ 0.11633 0.16736 -0.02598 -0.00675 0.16567 121 8PX 0.15630 0.08722 -0.02461 0.02499 0.11246 122 8PY 0.08722 0.08722 -0.00934 -0.03381 0.37921 123 8PZ 0.08722 0.15630 0.03395 0.00882 0.11246 124 9D 0 -0.02815 0.05629 -0.14563 -0.03783 0.04193 125 9D+1 0.02705 0.02705 -0.01557 -0.05636 -0.02692 126 9D-1 -0.10859 0.02705 -0.04103 0.04166 -0.04850 127 9D+2 0.04875 0.00000 0.03783 -0.14563 0.07262 128 9D-2 0.02705 -0.10859 0.05660 0.01470 -0.04850 129 7 O 1S -0.00192 -0.00192 0.00000 0.00000 0.00308 130 2S -0.00352 -0.00352 0.00000 0.00000 0.00726 131 3S -0.03961 -0.03961 0.00000 0.00000 0.03023 132 4S 0.35489 0.35489 0.00000 0.00000 -0.48718 133 5S 0.58509 0.58509 0.00000 0.00000 -0.96725 134 6PX 0.07021 -0.01854 -0.04957 0.05033 -0.06917 135 6PY 0.01854 0.01854 0.01881 0.06809 -0.04488 136 6PZ -0.01854 0.07021 0.06838 0.01776 -0.06917 137 7PX 0.16736 0.11633 -0.01884 0.01913 -0.16567 138 7PY -0.11633 -0.11633 0.00715 0.02588 0.16497 139 7PZ 0.11633 0.16736 0.02598 0.00675 -0.16567 140 8PX 0.15630 0.08722 0.02461 -0.02499 -0.11246 141 8PY -0.08722 -0.08722 -0.00934 -0.03381 0.37921 142 8PZ 0.08722 0.15630 -0.03395 -0.00882 -0.11246 143 9D 0 0.02815 -0.05629 -0.14563 -0.03783 0.04193 144 9D+1 -0.02705 -0.02705 -0.01557 -0.05636 -0.02692 145 9D-1 -0.10859 0.02705 0.04103 -0.04166 0.04850 146 9D+2 -0.04875 0.00000 0.03783 -0.14563 0.07262 147 9D-2 0.02705 -0.10859 -0.05660 -0.01470 0.04850 148 8 O 1S 0.00192 -0.00192 0.00000 0.00000 -0.00308 149 2S 0.00352 -0.00352 0.00000 0.00000 -0.00726 150 3S 0.03961 -0.03961 0.00000 0.00000 -0.03023 151 4S -0.35489 0.35489 0.00000 0.00000 0.48718 152 5S -0.58509 0.58509 0.00000 0.00000 0.96725 153 6PX 0.07021 0.01854 0.04957 -0.05033 -0.06917 154 6PY 0.01854 -0.01854 -0.01881 -0.06809 -0.04488 155 6PZ 0.01854 0.07021 0.06838 0.01776 0.06917 156 7PX 0.16736 -0.11633 0.01884 -0.01913 -0.16567 157 7PY -0.11633 0.11633 -0.00715 -0.02588 0.16497 158 7PZ -0.11633 0.16736 0.02598 0.00675 0.16567 159 8PX 0.15630 -0.08722 -0.02461 0.02499 -0.11246 160 8PY -0.08722 0.08722 0.00934 0.03381 0.37921 161 8PZ -0.08722 0.15630 -0.03395 -0.00882 0.11246 162 9D 0 -0.02815 -0.05629 -0.14563 -0.03783 -0.04193 163 9D+1 -0.02705 0.02705 0.01557 0.05636 -0.02692 164 9D-1 -0.10859 -0.02705 -0.04103 0.04166 0.04850 165 9D+2 0.04875 0.00000 0.03783 -0.14563 -0.07262 166 9D-2 -0.02705 -0.10859 -0.05660 -0.01470 -0.04850 167 9 O 1S -0.00192 0.00192 0.00000 0.00000 -0.00308 168 2S -0.00352 0.00352 0.00000 0.00000 -0.00726 169 3S -0.03961 0.03961 0.00000 0.00000 -0.03023 170 4S 0.35489 -0.35489 0.00000 0.00000 0.48718 171 5S 0.58509 -0.58509 0.00000 0.00000 0.96725 172 6PX 0.07021 0.01854 -0.04957 0.05033 0.06917 173 6PY -0.01854 0.01854 -0.01881 -0.06809 -0.04488 174 6PZ 0.01854 0.07021 -0.06838 -0.01776 -0.06917 175 7PX 0.16736 -0.11633 -0.01884 0.01913 0.16567 176 7PY 0.11633 -0.11633 -0.00715 -0.02588 0.16497 177 7PZ -0.11633 0.16736 -0.02598 -0.00675 -0.16567 178 8PX 0.15630 -0.08722 0.02461 -0.02499 0.11246 179 8PY 0.08722 -0.08722 0.00934 0.03381 0.37921 180 8PZ -0.08722 0.15630 0.03395 0.00882 -0.11246 181 9D 0 0.02815 0.05629 -0.14563 -0.03783 -0.04193 182 9D+1 0.02705 -0.02705 0.01557 0.05636 -0.02692 183 9D-1 -0.10859 -0.02705 0.04103 -0.04166 -0.04850 184 9D+2 -0.04875 0.00000 0.03783 -0.14563 -0.07262 185 9D-2 -0.02705 -0.10859 0.05660 0.01470 0.04850 126 127 128 129 130 (T2)--V (T2)--V (A1)--V (T2)--V (T2)--V Eigenvalues -- 1.92825 1.92825 1.97045 2.28594 2.28594 1 1 Ni 1S 0.00000 0.00000 -0.01028 0.00000 0.00000 2 2S 0.00000 0.00000 0.06032 0.00000 0.00000 3 3S 0.00000 0.00000 -0.03934 0.00000 0.00000 4 4S 0.00000 0.00000 -0.59549 0.00000 0.00000 5 5S 0.00000 0.00000 3.32481 0.00000 0.00000 6 6S 0.00000 0.00000 -2.06031 0.00000 0.00000 7 7PX -0.04263 0.00000 0.00000 0.00000 0.20822 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 -0.04263 0.00000 0.20822 0.00000 10 8PX 0.17485 0.00000 0.00000 0.00000 -0.80430 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.17485 0.00000 -0.80430 0.00000 13 9PX -0.44979 0.00000 0.00000 0.00000 1.23951 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 -0.44979 0.00000 1.23951 0.00000 16 10PX 3.33423 0.00000 0.00000 0.00000 -0.63612 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 3.33423 0.00000 -0.63612 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 -0.05970 0.00000 0.00000 0.00000 0.01732 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.05970 0.00000 0.01732 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 -0.15817 0.00000 0.00000 0.00000 0.06255 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 -0.15817 0.00000 0.06255 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 1.24602 0.00000 0.00000 0.00000 -0.02052 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 1.24602 0.00000 -0.02052 0.00000 34 2 C 1S -0.01983 -0.01983 -0.03663 -0.00725 -0.00725 35 2S -0.06994 -0.06994 -0.11937 -0.02823 -0.02823 36 3S 0.58847 0.58847 0.92016 -0.04021 -0.04021 37 4S -0.56293 -0.56293 -0.74015 1.47656 1.47656 38 5S 0.12413 0.12413 1.36490 0.13126 0.13126 39 6PX -0.09894 -0.26796 -0.31888 -0.07707 -0.09741 40 6PY -0.26796 -0.26796 -0.31888 -0.07707 -0.07707 41 6PZ -0.26796 -0.09894 -0.31888 -0.09741 -0.07707 42 7PX 0.83358 1.26241 1.12288 0.78160 0.83648 43 7PY 1.26241 1.26241 1.12288 0.78160 0.78160 44 7PZ 1.26241 0.83358 1.12288 0.83648 0.78160 45 8PX -0.11331 0.23144 0.07675 -0.11026 -0.04566 46 8PY 0.23144 0.23144 0.07675 -0.11026 -0.11026 47 8PZ 0.23144 -0.11331 0.07675 -0.04566 -0.11026 48 9D 0 -0.08633 0.17265 0.00000 -0.01493 0.00746 49 9D+1 0.12479 0.12479 0.01697 0.30326 0.30326 50 9D-1 -0.16838 0.12479 0.01697 0.30326 0.31662 51 9D+2 0.14952 0.00000 0.00000 0.00000 -0.01293 52 9D-2 0.12479 -0.16838 0.01697 0.31662 0.30326 53 3 C 1S 0.01983 -0.01983 -0.03663 -0.00725 0.00725 54 2S 0.06994 -0.06994 -0.11937 -0.02823 0.02823 55 3S -0.58847 0.58847 0.92016 -0.04021 0.04021 56 4S 0.56293 -0.56293 -0.74015 1.47656 -1.47656 57 5S -0.12413 0.12413 1.36490 0.13126 -0.13126 58 6PX -0.09894 0.26796 0.31888 0.07707 -0.09741 59 6PY -0.26796 0.26796 0.31888 0.07707 -0.07707 60 6PZ 0.26796 -0.09894 -0.31888 -0.09741 0.07707 61 7PX 0.83358 -1.26241 -1.12288 -0.78160 0.83648 62 7PY 1.26241 -1.26241 -1.12288 -0.78160 0.78160 63 7PZ -1.26241 0.83358 1.12288 0.83648 -0.78160 64 8PX -0.11331 -0.23144 -0.07675 0.11026 -0.04566 65 8PY 0.23144 -0.23144 -0.07675 0.11026 -0.11026 66 8PZ -0.23144 -0.11331 0.07675 -0.04566 0.11026 67 9D 0 0.08633 0.17265 0.00000 -0.01493 -0.00746 68 9D+1 0.12479 -0.12479 -0.01697 -0.30326 0.30326 69 9D-1 -0.16838 -0.12479 -0.01697 -0.30326 0.31662 70 9D+2 -0.14952 0.00000 0.00000 0.00000 0.01293 71 9D-2 -0.12479 -0.16838 0.01697 0.31662 -0.30326 72 4 C 1S 0.01983 0.01983 -0.03663 0.00725 0.00725 73 2S 0.06994 0.06994 -0.11937 0.02823 0.02823 74 3S -0.58847 -0.58847 0.92016 0.04021 0.04021 75 4S 0.56293 0.56293 -0.74015 -1.47656 -1.47656 76 5S -0.12413 -0.12413 1.36490 -0.13126 -0.13126 77 6PX -0.09894 -0.26796 0.31888 -0.07707 -0.09741 78 6PY 0.26796 0.26796 -0.31888 0.07707 0.07707 79 6PZ -0.26796 -0.09894 0.31888 -0.09741 -0.07707 80 7PX 0.83358 1.26241 -1.12288 0.78160 0.83648 81 7PY -1.26241 -1.26241 1.12288 -0.78160 -0.78160 82 7PZ 1.26241 0.83358 -1.12288 0.83648 0.78160 83 8PX -0.11331 0.23144 -0.07675 -0.11026 -0.04566 84 8PY -0.23144 -0.23144 0.07675 0.11026 0.11026 85 8PZ 0.23144 -0.11331 -0.07675 -0.04566 -0.11026 86 9D 0 0.08633 -0.17265 0.00000 0.01493 -0.00746 87 9D+1 -0.12479 -0.12479 0.01697 -0.30326 -0.30326 88 9D-1 -0.16838 0.12479 -0.01697 0.30326 0.31662 89 9D+2 -0.14952 0.00000 0.00000 0.00000 0.01293 90 9D-2 0.12479 -0.16838 -0.01697 0.31662 0.30326 91 5 C 1S -0.01983 0.01983 -0.03663 0.00725 -0.00725 92 2S -0.06994 0.06994 -0.11937 0.02823 -0.02823 93 3S 0.58847 -0.58847 0.92016 0.04021 -0.04021 94 4S -0.56293 0.56293 -0.74015 -1.47656 1.47656 95 5S 0.12413 -0.12413 1.36490 -0.13126 0.13126 96 6PX -0.09894 0.26796 -0.31888 0.07707 -0.09741 97 6PY 0.26796 -0.26796 0.31888 -0.07707 0.07707 98 6PZ 0.26796 -0.09894 0.31888 -0.09741 0.07707 99 7PX 0.83358 -1.26241 1.12288 -0.78160 0.83648 100 7PY -1.26241 1.26241 -1.12288 0.78160 -0.78160 101 7PZ -1.26241 0.83358 -1.12288 0.83648 -0.78160 102 8PX -0.11331 -0.23144 0.07675 0.11026 -0.04566 103 8PY -0.23144 0.23144 -0.07675 -0.11026 0.11026 104 8PZ -0.23144 -0.11331 -0.07675 -0.04566 0.11026 105 9D 0 -0.08633 -0.17265 0.00000 0.01493 0.00746 106 9D+1 -0.12479 0.12479 -0.01697 0.30326 -0.30326 107 9D-1 -0.16838 -0.12479 0.01697 -0.30326 0.31662 108 9D+2 0.14952 0.00000 0.00000 0.00000 -0.01293 109 9D-2 -0.12479 -0.16838 -0.01697 0.31662 -0.30326 110 6 O 1S 0.00308 0.00308 -0.00224 0.00357 0.00357 111 2S 0.00726 0.00726 -0.00701 0.00586 0.00586 112 3S 0.03023 0.03023 0.06713 0.16621 0.16621 113 4S -0.48718 -0.48718 -0.34409 -1.04351 -1.04351 114 5S -0.96725 -0.96725 -1.44666 -0.78346 -0.78346 115 6PX -0.04488 0.06917 0.04063 -0.06419 -0.03098 116 6PY 0.06917 0.06917 0.04063 -0.06419 -0.06419 117 6PZ 0.06917 -0.04488 0.04063 -0.03098 -0.06419 118 7PX 0.16497 0.16567 0.12227 0.50530 0.47316 119 7PY 0.16567 0.16567 0.12227 0.50530 0.50530 120 7PZ 0.16567 0.16497 0.12227 0.47316 0.50530 121 8PX 0.37921 0.11246 0.29691 0.17062 0.13480 122 8PY 0.11246 0.11246 0.29691 0.17062 0.17062 123 8PZ 0.11246 0.37921 0.29691 0.13480 0.17062 124 9D 0 0.04193 -0.08386 0.00000 -0.00853 0.00427 125 9D+1 -0.04850 -0.04850 -0.05600 0.00479 0.00479 126 9D-1 -0.02692 -0.04850 -0.05600 0.00479 0.01667 127 9D+2 -0.07262 0.00000 0.00000 0.00000 -0.00739 128 9D-2 -0.04850 -0.02692 -0.05600 0.01667 0.00479 129 7 O 1S -0.00308 -0.00308 -0.00224 -0.00357 -0.00357 130 2S -0.00726 -0.00726 -0.00701 -0.00586 -0.00586 131 3S -0.03023 -0.03023 0.06713 -0.16621 -0.16621 132 4S 0.48718 0.48718 -0.34409 1.04351 1.04351 133 5S 0.96725 0.96725 -1.44666 0.78346 0.78346 134 6PX -0.04488 0.06917 -0.04063 -0.06419 -0.03098 135 6PY -0.06917 -0.06917 0.04063 0.06419 0.06419 136 6PZ 0.06917 -0.04488 -0.04063 -0.03098 -0.06419 137 7PX 0.16497 0.16567 -0.12227 0.50530 0.47316 138 7PY -0.16567 -0.16567 0.12227 -0.50530 -0.50530 139 7PZ 0.16567 0.16497 -0.12227 0.47316 0.50530 140 8PX 0.37921 0.11246 -0.29691 0.17062 0.13480 141 8PY -0.11246 -0.11246 0.29691 -0.17062 -0.17062 142 8PZ 0.11246 0.37921 -0.29691 0.13480 0.17062 143 9D 0 -0.04193 0.08386 0.00000 0.00853 -0.00427 144 9D+1 0.04850 0.04850 -0.05600 -0.00479 -0.00479 145 9D-1 -0.02692 -0.04850 0.05600 0.00479 0.01667 146 9D+2 0.07262 0.00000 0.00000 0.00000 0.00739 147 9D-2 -0.04850 -0.02692 0.05600 0.01667 0.00479 148 8 O 1S 0.00308 -0.00308 -0.00224 -0.00357 0.00357 149 2S 0.00726 -0.00726 -0.00701 -0.00586 0.00586 150 3S 0.03023 -0.03023 0.06713 -0.16621 0.16621 151 4S -0.48718 0.48718 -0.34409 1.04351 -1.04351 152 5S -0.96725 0.96725 -1.44666 0.78346 -0.78346 153 6PX -0.04488 -0.06917 0.04063 0.06419 -0.03098 154 6PY -0.06917 0.06917 -0.04063 -0.06419 0.06419 155 6PZ -0.06917 -0.04488 -0.04063 -0.03098 0.06419 156 7PX 0.16497 -0.16567 0.12227 -0.50530 0.47316 157 7PY -0.16567 0.16567 -0.12227 0.50530 -0.50530 158 7PZ -0.16567 0.16497 -0.12227 0.47316 -0.50530 159 8PX 0.37921 -0.11246 0.29691 -0.17062 0.13480 160 8PY -0.11246 0.11246 -0.29691 0.17062 -0.17062 161 8PZ -0.11246 0.37921 -0.29691 0.13480 -0.17062 162 9D 0 0.04193 0.08386 0.00000 0.00853 0.00427 163 9D+1 0.04850 -0.04850 0.05600 0.00479 -0.00479 164 9D-1 -0.02692 0.04850 -0.05600 -0.00479 0.01667 165 9D+2 -0.07262 0.00000 0.00000 0.00000 -0.00739 166 9D-2 0.04850 -0.02692 0.05600 0.01667 -0.00479 167 9 O 1S -0.00308 0.00308 -0.00224 0.00357 -0.00357 168 2S -0.00726 0.00726 -0.00701 0.00586 -0.00586 169 3S -0.03023 0.03023 0.06713 0.16621 -0.16621 170 4S 0.48718 -0.48718 -0.34409 -1.04351 1.04351 171 5S 0.96725 -0.96725 -1.44666 -0.78346 0.78346 172 6PX -0.04488 -0.06917 -0.04063 0.06419 -0.03098 173 6PY 0.06917 -0.06917 -0.04063 0.06419 -0.06419 174 6PZ -0.06917 -0.04488 0.04063 -0.03098 0.06419 175 7PX 0.16497 -0.16567 -0.12227 -0.50530 0.47316 176 7PY 0.16567 -0.16567 -0.12227 -0.50530 0.50530 177 7PZ -0.16567 0.16497 0.12227 0.47316 -0.50530 178 8PX 0.37921 -0.11246 -0.29691 -0.17062 0.13480 179 8PY 0.11246 -0.11246 -0.29691 -0.17062 0.17062 180 8PZ -0.11246 0.37921 0.29691 0.13480 -0.17062 181 9D 0 -0.04193 -0.08386 0.00000 -0.00853 -0.00427 182 9D+1 -0.04850 0.04850 0.05600 -0.00479 0.00479 183 9D-1 -0.02692 0.04850 0.05600 -0.00479 0.01667 184 9D+2 0.07262 0.00000 0.00000 0.00000 0.00739 185 9D-2 0.04850 -0.02692 -0.05600 0.01667 -0.00479 131 132 133 134 135 (T2)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 2.28594 2.34540 2.44891 2.44891 2.44891 1 1 Ni 1S 0.00000 -0.01812 0.00000 0.00000 0.00000 2 2S 0.00000 -0.00092 0.00000 0.00000 0.00000 3 3S 0.00000 -0.24810 0.00000 0.00000 0.00000 4 4S 0.00000 0.14451 0.00000 0.00000 0.00000 5 5S 0.00000 1.56349 0.00000 0.00000 0.00000 6 6S 0.00000 0.42598 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.20760 0.00000 0.00000 8 7PY 0.20822 0.00000 0.00000 -0.20760 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.20760 10 8PX 0.00000 0.00000 0.79174 0.00000 0.00000 11 8PY -0.80430 0.00000 0.00000 0.79174 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.79174 13 9PX 0.00000 0.00000 -1.15417 0.00000 0.00000 14 9PY 1.23951 0.00000 0.00000 -1.15417 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -1.15417 16 10PX 0.00000 0.00000 1.85950 0.00000 0.00000 17 10PY -0.63612 0.00000 0.00000 1.85950 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 1.85950 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.01732 0.00000 0.00000 -0.08305 0.00000 21 11D-1 0.00000 0.00000 -0.08305 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 -0.08305 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.06255 0.00000 0.00000 0.06836 0.00000 26 12D-1 0.00000 0.00000 0.06836 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.06836 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 -0.02052 0.00000 0.00000 0.11093 0.00000 31 13D-1 0.00000 0.00000 0.11093 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.11093 34 2 C 1S -0.00725 -0.00195 0.00880 0.00880 0.00880 35 2S -0.02823 -0.01631 0.02049 0.02049 0.02049 36 3S -0.04021 -0.10254 -0.23412 -0.23412 -0.23412 37 4S 1.47656 1.60726 0.96147 0.96147 0.96147 38 5S 0.13126 -0.47494 -1.07630 -1.07630 -1.07630 39 6PX -0.07707 -0.04717 0.07058 0.05128 0.05128 40 6PY -0.09741 -0.04717 0.05128 0.07058 0.05128 41 6PZ -0.07707 -0.04717 0.05128 0.05128 0.07058 42 7PX 0.78160 0.93897 0.21439 0.34474 0.34474 43 7PY 0.83648 0.93897 0.34474 0.21439 0.34474 44 7PZ 0.78160 0.93897 0.34474 0.34474 0.21439 45 8PX -0.11026 0.09985 0.51981 0.47968 0.47968 46 8PY -0.04566 0.09985 0.47968 0.51981 0.47968 47 8PZ -0.11026 0.09985 0.47968 0.47968 0.51981 48 9D 0 0.00746 0.00000 -0.02720 -0.02720 0.05441 49 9D+1 0.31662 0.37025 0.18328 0.18420 0.18328 50 9D-1 0.30326 0.37025 0.18420 0.18328 0.18328 51 9D+2 0.01293 0.00000 0.04712 -0.04712 0.00000 52 9D-2 0.30326 0.37025 0.18328 0.18328 0.18420 53 3 C 1S 0.00725 -0.00195 -0.00880 -0.00880 0.00880 54 2S 0.02823 -0.01631 -0.02049 -0.02049 0.02049 55 3S 0.04021 -0.10254 0.23412 0.23412 -0.23412 56 4S -1.47656 1.60726 -0.96147 -0.96147 0.96147 57 5S -0.13126 -0.47494 1.07630 1.07630 -1.07630 58 6PX -0.07707 0.04717 0.07058 0.05128 -0.05128 59 6PY -0.09741 0.04717 0.05128 0.07058 -0.05128 60 6PZ 0.07707 -0.04717 -0.05128 -0.05128 0.07058 61 7PX 0.78160 -0.93897 0.21439 0.34474 -0.34474 62 7PY 0.83648 -0.93897 0.34474 0.21439 -0.34474 63 7PZ -0.78160 0.93897 -0.34474 -0.34474 0.21439 64 8PX -0.11026 -0.09985 0.51981 0.47968 -0.47968 65 8PY -0.04566 -0.09985 0.47968 0.51981 -0.47968 66 8PZ 0.11026 0.09985 -0.47968 -0.47968 0.51981 67 9D 0 -0.00746 0.00000 0.02720 0.02720 0.05441 68 9D+1 0.31662 -0.37025 0.18328 0.18420 -0.18328 69 9D-1 0.30326 -0.37025 0.18420 0.18328 -0.18328 70 9D+2 -0.01293 0.00000 -0.04712 0.04712 0.00000 71 9D-2 -0.30326 0.37025 -0.18328 -0.18328 0.18420 72 4 C 1S -0.00725 -0.00195 -0.00880 0.00880 -0.00880 73 2S -0.02823 -0.01631 -0.02049 0.02049 -0.02049 74 3S -0.04021 -0.10254 0.23412 -0.23412 0.23412 75 4S 1.47656 1.60726 -0.96147 0.96147 -0.96147 76 5S 0.13126 -0.47494 1.07630 -1.07630 1.07630 77 6PX 0.07707 0.04717 0.07058 -0.05128 0.05128 78 6PY -0.09741 -0.04717 -0.05128 0.07058 -0.05128 79 6PZ 0.07707 0.04717 0.05128 -0.05128 0.07058 80 7PX -0.78160 -0.93897 0.21439 -0.34474 0.34474 81 7PY 0.83648 0.93897 -0.34474 0.21439 -0.34474 82 7PZ -0.78160 -0.93897 0.34474 -0.34474 0.21439 83 8PX 0.11026 -0.09985 0.51981 -0.47968 0.47968 84 8PY -0.04566 0.09985 -0.47968 0.51981 -0.47968 85 8PZ 0.11026 -0.09985 0.47968 -0.47968 0.51981 86 9D 0 0.00746 0.00000 0.02720 -0.02720 -0.05441 87 9D+1 0.31662 0.37025 -0.18328 0.18420 -0.18328 88 9D-1 -0.30326 -0.37025 0.18420 -0.18328 0.18328 89 9D+2 0.01293 0.00000 -0.04712 -0.04712 0.00000 90 9D-2 -0.30326 -0.37025 0.18328 -0.18328 0.18420 91 5 C 1S 0.00725 -0.00195 0.00880 -0.00880 -0.00880 92 2S 0.02823 -0.01631 0.02049 -0.02049 -0.02049 93 3S 0.04021 -0.10254 -0.23412 0.23412 0.23412 94 4S -1.47656 1.60726 0.96147 -0.96147 -0.96147 95 5S -0.13126 -0.47494 -1.07630 1.07630 1.07630 96 6PX 0.07707 -0.04717 0.07058 -0.05128 -0.05128 97 6PY -0.09741 0.04717 -0.05128 0.07058 0.05128 98 6PZ -0.07707 0.04717 -0.05128 0.05128 0.07058 99 7PX -0.78160 0.93897 0.21439 -0.34474 -0.34474 100 7PY 0.83648 -0.93897 -0.34474 0.21439 0.34474 101 7PZ 0.78160 -0.93897 -0.34474 0.34474 0.21439 102 8PX 0.11026 0.09985 0.51981 -0.47968 -0.47968 103 8PY -0.04566 -0.09985 -0.47968 0.51981 0.47968 104 8PZ -0.11026 -0.09985 -0.47968 0.47968 0.51981 105 9D 0 -0.00746 0.00000 -0.02720 0.02720 -0.05441 106 9D+1 0.31662 -0.37025 -0.18328 0.18420 0.18328 107 9D-1 -0.30326 0.37025 0.18420 -0.18328 -0.18328 108 9D+2 -0.01293 0.00000 0.04712 0.04712 0.00000 109 9D-2 0.30326 -0.37025 -0.18328 0.18328 0.18420 110 6 O 1S 0.00357 0.00437 -0.00355 -0.00355 -0.00355 111 2S 0.00586 0.00544 -0.01804 -0.01804 -0.01804 112 3S 0.16621 0.23114 0.25778 0.25778 0.25778 113 4S -1.04351 -1.36185 -0.85744 -0.85744 -0.85744 114 5S -0.78346 -0.73728 -0.23876 -0.23876 -0.23876 115 6PX -0.06419 -0.12528 -0.20142 -0.11957 -0.11957 116 6PY -0.03098 -0.12528 -0.11957 -0.20142 -0.11957 117 6PZ -0.06419 -0.12528 -0.11957 -0.11957 -0.20142 118 7PX 0.50530 0.69436 0.54148 0.44008 0.44008 119 7PY 0.47316 0.69436 0.44008 0.54148 0.44008 120 7PZ 0.50530 0.69436 0.44008 0.44008 0.54148 121 8PX 0.17062 0.04075 -0.20611 -0.18570 -0.18570 122 8PY 0.13480 0.04075 -0.18570 -0.20611 -0.18570 123 8PZ 0.17062 0.04075 -0.18570 -0.18570 -0.20611 124 9D 0 0.00427 0.00000 -0.01780 -0.01780 0.03559 125 9D+1 0.01667 0.04605 0.05652 0.12226 0.05652 126 9D-1 0.00479 0.04605 0.12226 0.05652 0.05652 127 9D+2 0.00739 0.00000 0.03082 -0.03082 0.00000 128 9D-2 0.00479 0.04605 0.05652 0.05652 0.12226 129 7 O 1S 0.00357 0.00437 0.00355 -0.00355 0.00355 130 2S 0.00586 0.00544 0.01804 -0.01804 0.01804 131 3S 0.16621 0.23114 -0.25778 0.25778 -0.25778 132 4S -1.04351 -1.36185 0.85744 -0.85744 0.85744 133 5S -0.78346 -0.73728 0.23876 -0.23876 0.23876 134 6PX 0.06419 0.12528 -0.20142 0.11957 -0.11957 135 6PY -0.03098 -0.12528 0.11957 -0.20142 0.11957 136 6PZ 0.06419 0.12528 -0.11957 0.11957 -0.20142 137 7PX -0.50530 -0.69436 0.54148 -0.44008 0.44008 138 7PY 0.47316 0.69436 -0.44008 0.54148 -0.44008 139 7PZ -0.50530 -0.69436 0.44008 -0.44008 0.54148 140 8PX -0.17062 -0.04075 -0.20611 0.18570 -0.18570 141 8PY 0.13480 0.04075 0.18570 -0.20611 0.18570 142 8PZ -0.17062 -0.04075 -0.18570 0.18570 -0.20611 143 9D 0 0.00427 0.00000 0.01780 -0.01780 -0.03559 144 9D+1 0.01667 0.04605 -0.05652 0.12226 -0.05652 145 9D-1 -0.00479 -0.04605 0.12226 -0.05652 0.05652 146 9D+2 0.00739 0.00000 -0.03082 -0.03082 0.00000 147 9D-2 -0.00479 -0.04605 0.05652 -0.05652 0.12226 148 8 O 1S -0.00357 0.00437 -0.00355 0.00355 0.00355 149 2S -0.00586 0.00544 -0.01804 0.01804 0.01804 150 3S -0.16621 0.23114 0.25778 -0.25778 -0.25778 151 4S 1.04351 -1.36185 -0.85744 0.85744 0.85744 152 5S 0.78346 -0.73728 -0.23876 0.23876 0.23876 153 6PX 0.06419 -0.12528 -0.20142 0.11957 0.11957 154 6PY -0.03098 0.12528 0.11957 -0.20142 -0.11957 155 6PZ -0.06419 0.12528 0.11957 -0.11957 -0.20142 156 7PX -0.50530 0.69436 0.54148 -0.44008 -0.44008 157 7PY 0.47316 -0.69436 -0.44008 0.54148 0.44008 158 7PZ 0.50530 -0.69436 -0.44008 0.44008 0.54148 159 8PX -0.17062 0.04075 -0.20611 0.18570 0.18570 160 8PY 0.13480 -0.04075 0.18570 -0.20611 -0.18570 161 8PZ 0.17062 -0.04075 0.18570 -0.18570 -0.20611 162 9D 0 -0.00427 0.00000 -0.01780 0.01780 -0.03559 163 9D+1 0.01667 -0.04605 -0.05652 0.12226 0.05652 164 9D-1 -0.00479 0.04605 0.12226 -0.05652 -0.05652 165 9D+2 -0.00739 0.00000 0.03082 0.03082 0.00000 166 9D-2 0.00479 -0.04605 -0.05652 0.05652 0.12226 167 9 O 1S -0.00357 0.00437 0.00355 0.00355 -0.00355 168 2S -0.00586 0.00544 0.01804 0.01804 -0.01804 169 3S -0.16621 0.23114 -0.25778 -0.25778 0.25778 170 4S 1.04351 -1.36185 0.85744 0.85744 -0.85744 171 5S 0.78346 -0.73728 0.23876 0.23876 -0.23876 172 6PX -0.06419 0.12528 -0.20142 -0.11957 0.11957 173 6PY -0.03098 0.12528 -0.11957 -0.20142 0.11957 174 6PZ 0.06419 -0.12528 0.11957 0.11957 -0.20142 175 7PX 0.50530 -0.69436 0.54148 0.44008 -0.44008 176 7PY 0.47316 -0.69436 0.44008 0.54148 -0.44008 177 7PZ -0.50530 0.69436 -0.44008 -0.44008 0.54148 178 8PX 0.17062 -0.04075 -0.20611 -0.18570 0.18570 179 8PY 0.13480 -0.04075 -0.18570 -0.20611 0.18570 180 8PZ -0.17062 0.04075 0.18570 0.18570 -0.20611 181 9D 0 -0.00427 0.00000 0.01780 0.01780 0.03559 182 9D+1 0.01667 -0.04605 0.05652 0.12226 -0.05652 183 9D-1 0.00479 -0.04605 0.12226 0.05652 -0.05652 184 9D+2 -0.00739 0.00000 -0.03082 0.03082 0.00000 185 9D-2 -0.00479 0.04605 -0.05652 -0.05652 0.12226 136 137 138 139 140 (E)--V (E)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 2.56470 2.56470 2.56775 2.56775 2.56775 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.03999 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.03999 9 7PZ 0.00000 0.00000 0.00000 0.03999 0.00000 10 8PX 0.00000 0.00000 -0.15635 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.15635 12 8PZ 0.00000 0.00000 0.00000 -0.15635 0.00000 13 9PX 0.00000 0.00000 0.26262 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.26262 15 9PZ 0.00000 0.00000 0.00000 0.26262 0.00000 16 10PX 0.00000 0.00000 -0.61268 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -0.61268 18 10PZ 0.00000 0.00000 0.00000 -0.61268 0.00000 19 11D 0 0.00743 -0.00366 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00215 21 11D-1 0.00000 0.00000 0.00215 0.00000 0.00000 22 11D+2 -0.00366 -0.00743 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00215 0.00000 24 12D 0 -0.00170 0.00084 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00942 26 12D-1 0.00000 0.00000 0.00942 0.00000 0.00000 27 12D+2 0.00084 0.00170 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00942 0.00000 29 13D 0 -0.02762 0.01360 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -0.08364 31 13D-1 0.00000 0.00000 -0.08364 0.00000 0.00000 32 13D+2 0.01360 0.02762 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.08364 0.00000 34 2 C 1S 0.00000 0.00000 0.00131 0.00131 0.00131 35 2S 0.00000 0.00000 0.00466 0.00466 0.00466 36 3S 0.00000 0.00000 -0.07215 -0.07215 -0.07215 37 4S 0.00000 0.00000 0.19899 0.19899 0.19899 38 5S 0.00000 0.00000 -0.08748 -0.08748 -0.08748 39 6PX -0.01682 -0.01125 0.00216 0.01041 0.01041 40 6PY -0.00133 0.02019 0.01041 0.01041 0.00216 41 6PZ 0.01815 -0.00894 0.01041 0.00216 0.01041 42 7PX 0.07009 0.04688 -0.10796 -0.08163 -0.08163 43 7PY 0.00555 -0.08414 -0.08163 -0.08163 -0.10796 44 7PZ -0.07564 0.03726 -0.08163 -0.10796 -0.08163 45 8PX -0.14873 -0.09948 0.22455 -0.11112 -0.11112 46 8PY -0.01178 0.17855 -0.11112 -0.11112 0.22455 47 8PZ 0.16052 -0.07907 -0.11112 0.22455 -0.11112 48 9D 0 -0.00190 0.00094 0.02104 -0.04207 0.02104 49 9D+1 -0.00084 0.01266 -0.00947 -0.00947 0.00352 50 9D-1 -0.01054 -0.00705 0.00352 -0.00947 -0.00947 51 9D+2 0.00094 0.00190 -0.03644 0.00000 0.03644 52 9D-2 0.01138 -0.00561 -0.00947 0.00352 -0.00947 53 3 C 1S 0.00000 0.00000 -0.00131 0.00131 -0.00131 54 2S 0.00000 0.00000 -0.00466 0.00466 -0.00466 55 3S 0.00000 0.00000 0.07215 -0.07215 0.07215 56 4S 0.00000 0.00000 -0.19899 0.19899 -0.19899 57 5S 0.00000 0.00000 0.08748 -0.08748 0.08748 58 6PX 0.01682 0.01125 0.00216 -0.01041 0.01041 59 6PY 0.00133 -0.02019 0.01041 -0.01041 0.00216 60 6PZ 0.01815 -0.00894 -0.01041 0.00216 -0.01041 61 7PX -0.07009 -0.04688 -0.10796 0.08163 -0.08163 62 7PY -0.00555 0.08414 -0.08163 0.08163 -0.10796 63 7PZ -0.07564 0.03726 0.08163 -0.10796 0.08163 64 8PX 0.14873 0.09948 0.22455 0.11112 -0.11112 65 8PY 0.01178 -0.17855 -0.11112 0.11112 0.22455 66 8PZ 0.16052 -0.07907 0.11112 0.22455 0.11112 67 9D 0 -0.00190 0.00094 -0.02104 -0.04207 -0.02104 68 9D+1 0.00084 -0.01266 -0.00947 0.00947 0.00352 69 9D-1 0.01054 0.00705 0.00352 0.00947 -0.00947 70 9D+2 0.00094 0.00190 0.03644 0.00000 -0.03644 71 9D-2 0.01138 -0.00561 0.00947 0.00352 0.00947 72 4 C 1S 0.00000 0.00000 -0.00131 -0.00131 0.00131 73 2S 0.00000 0.00000 -0.00466 -0.00466 0.00466 74 3S 0.00000 0.00000 0.07215 0.07215 -0.07215 75 4S 0.00000 0.00000 -0.19899 -0.19899 0.19899 76 5S 0.00000 0.00000 0.08748 0.08748 -0.08748 77 6PX 0.01682 0.01125 0.00216 0.01041 -0.01041 78 6PY -0.00133 0.02019 -0.01041 -0.01041 0.00216 79 6PZ -0.01815 0.00894 0.01041 0.00216 -0.01041 80 7PX -0.07009 -0.04688 -0.10796 -0.08163 0.08163 81 7PY 0.00555 -0.08414 0.08163 0.08163 -0.10796 82 7PZ 0.07564 -0.03726 -0.08163 -0.10796 0.08163 83 8PX 0.14873 0.09948 0.22455 -0.11112 0.11112 84 8PY -0.01178 0.17855 0.11112 0.11112 0.22455 85 8PZ -0.16052 0.07907 -0.11112 0.22455 0.11112 86 9D 0 -0.00190 0.00094 -0.02104 0.04207 0.02104 87 9D+1 -0.00084 0.01266 0.00947 0.00947 0.00352 88 9D-1 0.01054 0.00705 0.00352 -0.00947 0.00947 89 9D+2 0.00094 0.00190 0.03644 0.00000 0.03644 90 9D-2 -0.01138 0.00561 -0.00947 0.00352 0.00947 91 5 C 1S 0.00000 0.00000 0.00131 -0.00131 -0.00131 92 2S 0.00000 0.00000 0.00466 -0.00466 -0.00466 93 3S 0.00000 0.00000 -0.07215 0.07215 0.07215 94 4S 0.00000 0.00000 0.19899 -0.19899 -0.19899 95 5S 0.00000 0.00000 -0.08748 0.08748 0.08748 96 6PX -0.01682 -0.01125 0.00216 -0.01041 -0.01041 97 6PY 0.00133 -0.02019 -0.01041 0.01041 0.00216 98 6PZ -0.01815 0.00894 -0.01041 0.00216 0.01041 99 7PX 0.07009 0.04688 -0.10796 0.08163 0.08163 100 7PY -0.00555 0.08414 0.08163 -0.08163 -0.10796 101 7PZ 0.07564 -0.03726 0.08163 -0.10796 -0.08163 102 8PX -0.14873 -0.09948 0.22455 0.11112 0.11112 103 8PY 0.01178 -0.17855 0.11112 -0.11112 0.22455 104 8PZ -0.16052 0.07907 0.11112 0.22455 -0.11112 105 9D 0 -0.00190 0.00094 0.02104 0.04207 -0.02104 106 9D+1 0.00084 -0.01266 0.00947 -0.00947 0.00352 107 9D-1 -0.01054 -0.00705 0.00352 0.00947 0.00947 108 9D+2 0.00094 0.00190 -0.03644 0.00000 -0.03644 109 9D-2 -0.01138 0.00561 0.00947 0.00352 -0.00947 110 6 O 1S 0.00000 0.00000 0.00167 0.00167 0.00167 111 2S 0.00000 0.00000 0.00619 0.00619 0.00619 112 3S 0.00000 0.00000 -0.04981 -0.04981 -0.04981 113 4S 0.00000 0.00000 0.10959 0.10959 0.10959 114 5S 0.00000 0.00000 0.01508 0.01508 0.01508 115 6PX 0.38274 0.25599 -0.44049 0.24029 0.24029 116 6PY 0.03033 -0.45946 0.24029 0.24029 -0.44049 117 6PZ -0.41307 0.20347 0.24029 -0.44049 0.24029 118 7PX -0.56912 -0.38065 0.64368 -0.38113 -0.38113 119 7PY -0.04509 0.68320 -0.38113 -0.38113 0.64368 120 7PZ 0.61422 -0.30255 -0.38113 0.64368 -0.38113 121 8PX 0.34631 0.23162 -0.43976 0.23952 0.23952 122 8PY 0.02744 -0.41572 0.23952 0.23952 -0.43976 123 8PZ -0.37374 0.18410 0.23952 -0.43976 0.23952 124 9D 0 0.05560 -0.02739 -0.08790 0.17579 -0.08790 125 9D+1 0.00873 -0.13219 -0.00381 -0.00381 -0.02130 126 9D-1 0.11012 0.07365 -0.02130 -0.00381 -0.00381 127 9D+2 -0.02739 -0.05560 0.15224 0.00000 -0.15224 128 9D-2 -0.11884 0.05854 -0.00381 -0.02130 -0.00381 129 7 O 1S 0.00000 0.00000 -0.00167 -0.00167 0.00167 130 2S 0.00000 0.00000 -0.00619 -0.00619 0.00619 131 3S 0.00000 0.00000 0.04981 0.04981 -0.04981 132 4S 0.00000 0.00000 -0.10959 -0.10959 0.10959 133 5S 0.00000 0.00000 -0.01508 -0.01508 0.01508 134 6PX -0.38274 -0.25599 -0.44049 0.24029 -0.24029 135 6PY 0.03033 -0.45946 -0.24029 -0.24029 -0.44049 136 6PZ 0.41307 -0.20347 0.24029 -0.44049 -0.24029 137 7PX 0.56912 0.38065 0.64368 -0.38113 0.38113 138 7PY -0.04509 0.68320 0.38113 0.38113 0.64368 139 7PZ -0.61422 0.30255 -0.38113 0.64368 0.38113 140 8PX -0.34631 -0.23162 -0.43976 0.23952 -0.23952 141 8PY 0.02744 -0.41572 -0.23952 -0.23952 -0.43976 142 8PZ 0.37374 -0.18410 0.23952 -0.43976 -0.23952 143 9D 0 0.05560 -0.02739 0.08790 -0.17579 -0.08790 144 9D+1 0.00873 -0.13219 0.00381 0.00381 -0.02130 145 9D-1 -0.11012 -0.07365 -0.02130 -0.00381 0.00381 146 9D+2 -0.02739 -0.05560 -0.15224 0.00000 -0.15224 147 9D-2 0.11884 -0.05854 -0.00381 -0.02130 0.00381 148 8 O 1S 0.00000 0.00000 0.00167 -0.00167 -0.00167 149 2S 0.00000 0.00000 0.00619 -0.00619 -0.00619 150 3S 0.00000 0.00000 -0.04981 0.04981 0.04981 151 4S 0.00000 0.00000 0.10959 -0.10959 -0.10959 152 5S 0.00000 0.00000 0.01508 -0.01508 -0.01508 153 6PX 0.38274 0.25599 -0.44049 -0.24029 -0.24029 154 6PY -0.03033 0.45946 -0.24029 0.24029 -0.44049 155 6PZ 0.41307 -0.20347 -0.24029 -0.44049 0.24029 156 7PX -0.56912 -0.38065 0.64368 0.38113 0.38113 157 7PY 0.04509 -0.68320 0.38113 -0.38113 0.64368 158 7PZ -0.61422 0.30255 0.38113 0.64368 -0.38113 159 8PX 0.34631 0.23162 -0.43976 -0.23952 -0.23952 160 8PY -0.02744 0.41572 -0.23952 0.23952 -0.43976 161 8PZ 0.37374 -0.18410 -0.23952 -0.43976 0.23952 162 9D 0 0.05560 -0.02739 -0.08790 -0.17579 0.08790 163 9D+1 -0.00873 0.13219 0.00381 -0.00381 -0.02130 164 9D-1 0.11012 0.07365 -0.02130 0.00381 0.00381 165 9D+2 -0.02739 -0.05560 0.15224 0.00000 0.15224 166 9D-2 0.11884 -0.05854 0.00381 -0.02130 -0.00381 167 9 O 1S 0.00000 0.00000 -0.00167 0.00167 -0.00167 168 2S 0.00000 0.00000 -0.00619 0.00619 -0.00619 169 3S 0.00000 0.00000 0.04981 -0.04981 0.04981 170 4S 0.00000 0.00000 -0.10959 0.10959 -0.10959 171 5S 0.00000 0.00000 -0.01508 0.01508 -0.01508 172 6PX -0.38274 -0.25599 -0.44049 -0.24029 0.24029 173 6PY -0.03033 0.45946 0.24029 -0.24029 -0.44049 174 6PZ -0.41307 0.20347 -0.24029 -0.44049 -0.24029 175 7PX 0.56912 0.38065 0.64368 0.38113 -0.38113 176 7PY 0.04509 -0.68320 -0.38113 0.38113 0.64368 177 7PZ 0.61422 -0.30255 0.38113 0.64368 0.38113 178 8PX -0.34631 -0.23162 -0.43976 -0.23952 0.23952 179 8PY -0.02744 0.41572 0.23952 -0.23952 -0.43976 180 8PZ -0.37374 0.18410 -0.23952 -0.43976 -0.23952 181 9D 0 0.05560 -0.02739 0.08790 0.17579 0.08790 182 9D+1 -0.00873 0.13219 -0.00381 0.00381 -0.02130 183 9D-1 -0.11012 -0.07365 -0.02130 0.00381 -0.00381 184 9D+2 -0.02739 -0.05560 -0.15224 0.00000 0.15224 185 9D-2 -0.11884 0.05854 0.00381 -0.02130 0.00381 141 142 143 144 145 (T1)--V (T1)--V (T1)--V (E)--V (E)--V Eigenvalues -- 2.59570 2.59570 2.59570 2.59977 2.59977 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 -0.01757 0.00575 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00575 0.01757 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00853 -0.00279 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 -0.00279 -0.00853 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.02234 -0.00731 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 -0.00731 -0.02234 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.00000 0.00000 0.00000 38 5S 0.00000 0.00000 0.00000 0.00000 0.00000 39 6PX 0.00000 -0.00556 0.00556 -0.00842 -0.00755 40 6PY -0.00556 0.00000 -0.00556 -0.00233 0.01107 41 6PZ 0.00556 0.00556 0.00000 0.01076 -0.00352 42 7PX 0.00000 0.02458 -0.02458 0.02731 0.02449 43 7PY 0.02458 0.00000 0.02458 0.00755 -0.03590 44 7PZ -0.02458 -0.02458 0.00000 -0.03487 0.01141 45 8PX 0.00000 -0.08004 0.08004 -0.03535 -0.03170 46 8PY -0.08004 0.00000 -0.08004 -0.00978 0.04646 47 8PZ 0.08004 0.08004 0.00000 0.04513 -0.01476 48 9D 0 -0.07174 -0.07174 0.00000 -0.07797 0.02551 49 9D+1 0.07670 0.00000 0.07670 0.02078 -0.09874 50 9D-1 0.00000 0.07670 -0.07670 0.07512 0.06736 51 9D+2 -0.04142 0.04142 -0.08284 0.02551 0.07797 52 9D-2 -0.07670 -0.07670 0.00000 -0.09590 0.03137 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 0.00000 56 4S 0.00000 0.00000 0.00000 0.00000 0.00000 57 5S 0.00000 0.00000 0.00000 0.00000 0.00000 58 6PX 0.00000 -0.00556 -0.00556 0.00842 0.00755 59 6PY -0.00556 0.00000 0.00556 0.00233 -0.01107 60 6PZ -0.00556 -0.00556 0.00000 0.01076 -0.00352 61 7PX 0.00000 0.02458 0.02458 -0.02731 -0.02449 62 7PY 0.02458 0.00000 -0.02458 -0.00755 0.03590 63 7PZ 0.02458 0.02458 0.00000 -0.03487 0.01141 64 8PX 0.00000 -0.08004 -0.08004 0.03535 0.03170 65 8PY -0.08004 0.00000 0.08004 0.00978 -0.04646 66 8PZ -0.08004 -0.08004 0.00000 0.04513 -0.01476 67 9D 0 0.07174 0.07174 0.00000 -0.07797 0.02551 68 9D+1 0.07670 0.00000 -0.07670 -0.02078 0.09874 69 9D-1 0.00000 0.07670 0.07670 -0.07512 -0.06736 70 9D+2 0.04142 -0.04142 -0.08284 0.02551 0.07797 71 9D-2 0.07670 0.07670 0.00000 -0.09590 0.03137 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00000 0.00000 0.00000 0.00000 0.00000 76 5S 0.00000 0.00000 0.00000 0.00000 0.00000 77 6PX 0.00000 0.00556 0.00556 0.00842 0.00755 78 6PY 0.00556 0.00000 0.00556 -0.00233 0.01107 79 6PZ 0.00556 -0.00556 0.00000 -0.01076 0.00352 80 7PX 0.00000 -0.02458 -0.02458 -0.02731 -0.02449 81 7PY -0.02458 0.00000 -0.02458 0.00755 -0.03590 82 7PZ -0.02458 0.02458 0.00000 0.03487 -0.01141 83 8PX 0.00000 0.08004 0.08004 0.03535 0.03170 84 8PY 0.08004 0.00000 0.08004 -0.00978 0.04646 85 8PZ 0.08004 -0.08004 0.00000 -0.04513 0.01476 86 9D 0 0.07174 -0.07174 0.00000 -0.07797 0.02551 87 9D+1 -0.07670 0.00000 -0.07670 0.02078 -0.09874 88 9D-1 0.00000 -0.07670 -0.07670 -0.07512 -0.06736 89 9D+2 0.04142 0.04142 0.08284 0.02551 0.07797 90 9D-2 -0.07670 0.07670 0.00000 0.09590 -0.03137 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 0.00000 0.00000 0.00000 0.00000 96 6PX 0.00000 0.00556 -0.00556 -0.00842 -0.00755 97 6PY 0.00556 0.00000 -0.00556 0.00233 -0.01107 98 6PZ -0.00556 0.00556 0.00000 -0.01076 0.00352 99 7PX 0.00000 -0.02458 0.02458 0.02731 0.02449 100 7PY -0.02458 0.00000 0.02458 -0.00755 0.03590 101 7PZ 0.02458 -0.02458 0.00000 0.03487 -0.01141 102 8PX 0.00000 0.08004 -0.08004 -0.03535 -0.03170 103 8PY 0.08004 0.00000 -0.08004 0.00978 -0.04646 104 8PZ -0.08004 0.08004 0.00000 -0.04513 0.01476 105 9D 0 -0.07174 0.07174 0.00000 -0.07797 0.02551 106 9D+1 -0.07670 0.00000 0.07670 -0.02078 0.09874 107 9D-1 0.00000 -0.07670 0.07670 0.07512 0.06736 108 9D+2 -0.04142 -0.04142 0.08284 0.02551 0.07797 109 9D-2 0.07670 -0.07670 0.00000 0.09590 -0.03137 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.10512 -0.10512 0.06811 0.06107 116 6PY 0.10512 0.00000 0.10512 0.01884 -0.08952 117 6PZ -0.10512 -0.10512 0.00000 -0.08694 0.02844 118 7PX 0.00000 -0.16134 0.16134 -0.10248 -0.09190 119 7PY -0.16134 0.00000 -0.16134 -0.02835 0.13470 120 7PZ 0.16134 0.16134 0.00000 0.13082 -0.04280 121 8PX 0.00000 0.11476 -0.11476 0.06345 0.05689 122 8PY 0.11476 0.00000 0.11476 0.01755 -0.08339 123 8PZ -0.11476 -0.11476 0.00000 -0.08099 0.02650 124 9D 0 0.26727 0.26727 0.00000 0.28255 -0.09244 125 9D+1 -0.26005 0.00000 -0.26005 -0.06444 0.30620 126 9D-1 0.00000 -0.26005 0.26005 -0.23296 -0.20891 127 9D+2 0.15431 -0.15431 0.30862 -0.09244 -0.28255 128 9D-2 0.26005 0.26005 0.00000 0.29740 -0.09730 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 -0.10512 -0.10512 -0.06811 -0.06107 135 6PY -0.10512 0.00000 -0.10512 0.01884 -0.08952 136 6PZ -0.10512 0.10512 0.00000 0.08694 -0.02844 137 7PX 0.00000 0.16134 0.16134 0.10248 0.09190 138 7PY 0.16134 0.00000 0.16134 -0.02835 0.13470 139 7PZ 0.16134 -0.16134 0.00000 -0.13082 0.04280 140 8PX 0.00000 -0.11476 -0.11476 -0.06345 -0.05689 141 8PY -0.11476 0.00000 -0.11476 0.01755 -0.08339 142 8PZ -0.11476 0.11476 0.00000 0.08099 -0.02650 143 9D 0 -0.26727 0.26727 0.00000 0.28255 -0.09244 144 9D+1 0.26005 0.00000 0.26005 -0.06444 0.30620 145 9D-1 0.00000 0.26005 0.26005 0.23296 0.20891 146 9D+2 -0.15431 -0.15431 -0.30862 -0.09244 -0.28255 147 9D-2 0.26005 -0.26005 0.00000 -0.29740 0.09730 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 -0.10512 0.10512 0.06811 0.06107 154 6PY -0.10512 0.00000 0.10512 -0.01884 0.08952 155 6PZ 0.10512 -0.10512 0.00000 0.08694 -0.02844 156 7PX 0.00000 0.16134 -0.16134 -0.10248 -0.09190 157 7PY 0.16134 0.00000 -0.16134 0.02835 -0.13470 158 7PZ -0.16134 0.16134 0.00000 -0.13082 0.04280 159 8PX 0.00000 -0.11476 0.11476 0.06345 0.05689 160 8PY -0.11476 0.00000 0.11476 -0.01755 0.08339 161 8PZ 0.11476 -0.11476 0.00000 0.08099 -0.02650 162 9D 0 0.26727 -0.26727 0.00000 0.28255 -0.09244 163 9D+1 0.26005 0.00000 -0.26005 0.06444 -0.30620 164 9D-1 0.00000 0.26005 -0.26005 -0.23296 -0.20891 165 9D+2 0.15431 0.15431 -0.30862 -0.09244 -0.28255 166 9D-2 -0.26005 0.26005 0.00000 -0.29740 0.09730 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.10512 0.10512 -0.06811 -0.06107 173 6PY 0.10512 0.00000 -0.10512 -0.01884 0.08952 174 6PZ 0.10512 0.10512 0.00000 -0.08694 0.02844 175 7PX 0.00000 -0.16134 -0.16134 0.10248 0.09190 176 7PY -0.16134 0.00000 0.16134 0.02835 -0.13470 177 7PZ -0.16134 -0.16134 0.00000 0.13082 -0.04280 178 8PX 0.00000 0.11476 0.11476 -0.06345 -0.05689 179 8PY 0.11476 0.00000 -0.11476 -0.01755 0.08339 180 8PZ 0.11476 0.11476 0.00000 -0.08099 0.02650 181 9D 0 -0.26727 -0.26727 0.00000 0.28255 -0.09244 182 9D+1 -0.26005 0.00000 0.26005 0.06444 -0.30620 183 9D-1 0.00000 -0.26005 -0.26005 0.23296 0.20891 184 9D+2 -0.15431 0.15431 0.30862 -0.09244 -0.28255 185 9D-2 -0.26005 -0.26005 0.00000 0.29740 -0.09730 146 147 148 149 150 (T2)--V (T2)--V (T2)--V (T1)--V (T1)--V Eigenvalues -- 2.60460 2.60460 2.60460 2.62156 2.62156 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.01089 0.00000 0.00000 8 7PY 0.01089 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.01089 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.04115 0.00000 0.00000 11 8PY -0.04115 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 -0.04115 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.05127 0.00000 0.00000 14 9PY 0.05127 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.05127 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -0.03156 0.00000 0.00000 17 10PY -0.03156 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 -0.03156 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 -0.01816 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 -0.01816 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.01816 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.07642 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.07642 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.07642 0.00000 0.00000 0.00000 34 2 C 1S -0.00286 -0.00286 -0.00286 0.00000 0.00000 35 2S -0.00802 -0.00802 -0.00802 0.00000 0.00000 36 3S 0.08532 0.08532 0.08532 0.00000 0.00000 37 4S -0.24093 -0.24093 -0.24093 0.00000 0.00000 38 5S 0.24595 0.24595 0.24595 0.00000 0.00000 39 6PX -0.01381 -0.01381 -0.01573 0.02756 0.02756 40 6PY -0.01573 -0.01381 -0.01381 0.00000 -0.02756 41 6PZ -0.01381 -0.01573 -0.01381 -0.02756 0.00000 42 7PX 0.02669 0.02669 0.05159 -0.11092 -0.11092 43 7PY 0.05159 0.02669 0.02669 0.00000 0.11092 44 7PZ 0.02669 0.05159 0.02669 0.11092 0.00000 45 8PX -0.07000 -0.07000 -0.18728 0.35488 0.35488 46 8PY -0.18728 -0.07000 -0.07000 0.00000 -0.35488 47 8PZ -0.07000 -0.18728 -0.07000 -0.35488 0.00000 48 9D 0 0.04339 -0.08677 0.04339 -0.01662 0.00000 49 9D+1 -0.11777 0.04284 0.04284 0.00000 -0.03794 50 9D-1 0.04284 0.04284 -0.11777 0.03794 0.03794 51 9D+2 0.07515 0.00000 -0.07515 0.00960 0.01920 52 9D-2 0.04284 -0.11777 0.04284 -0.03794 0.00000 53 3 C 1S 0.00286 -0.00286 0.00286 0.00000 0.00000 54 2S 0.00802 -0.00802 0.00802 0.00000 0.00000 55 3S -0.08532 0.08532 -0.08532 0.00000 0.00000 56 4S 0.24093 -0.24093 0.24093 0.00000 0.00000 57 5S -0.24595 0.24595 -0.24595 0.00000 0.00000 58 6PX -0.01381 0.01381 -0.01573 0.02756 -0.02756 59 6PY -0.01573 0.01381 -0.01381 0.00000 0.02756 60 6PZ 0.01381 -0.01573 0.01381 0.02756 0.00000 61 7PX 0.02669 -0.02669 0.05159 -0.11092 0.11092 62 7PY 0.05159 -0.02669 0.02669 0.00000 -0.11092 63 7PZ -0.02669 0.05159 -0.02669 -0.11092 0.00000 64 8PX -0.07000 0.07000 -0.18728 0.35488 -0.35488 65 8PY -0.18728 0.07000 -0.07000 0.00000 0.35488 66 8PZ 0.07000 -0.18728 0.07000 0.35488 0.00000 67 9D 0 -0.04339 -0.08677 -0.04339 0.01662 0.00000 68 9D+1 -0.11777 -0.04284 0.04284 0.00000 0.03794 69 9D-1 0.04284 -0.04284 -0.11777 0.03794 -0.03794 70 9D+2 -0.07515 0.00000 0.07515 -0.00960 0.01920 71 9D-2 -0.04284 -0.11777 -0.04284 0.03794 0.00000 72 4 C 1S -0.00286 0.00286 0.00286 0.00000 0.00000 73 2S -0.00802 0.00802 0.00802 0.00000 0.00000 74 3S 0.08532 -0.08532 -0.08532 0.00000 0.00000 75 4S -0.24093 0.24093 0.24093 0.00000 0.00000 76 5S 0.24595 -0.24595 -0.24595 0.00000 0.00000 77 6PX 0.01381 -0.01381 -0.01573 -0.02756 0.02756 78 6PY -0.01573 0.01381 0.01381 0.00000 0.02756 79 6PZ 0.01381 -0.01573 -0.01381 0.02756 0.00000 80 7PX -0.02669 0.02669 0.05159 0.11092 -0.11092 81 7PY 0.05159 -0.02669 -0.02669 0.00000 -0.11092 82 7PZ -0.02669 0.05159 0.02669 -0.11092 0.00000 83 8PX 0.07000 -0.07000 -0.18728 -0.35488 0.35488 84 8PY -0.18728 0.07000 0.07000 0.00000 0.35488 85 8PZ 0.07000 -0.18728 -0.07000 0.35488 0.00000 86 9D 0 0.04339 0.08677 -0.04339 -0.01662 0.00000 87 9D+1 -0.11777 -0.04284 -0.04284 0.00000 0.03794 88 9D-1 -0.04284 0.04284 -0.11777 -0.03794 0.03794 89 9D+2 0.07515 0.00000 0.07515 0.00960 -0.01920 90 9D-2 -0.04284 -0.11777 0.04284 0.03794 0.00000 91 5 C 1S 0.00286 0.00286 -0.00286 0.00000 0.00000 92 2S 0.00802 0.00802 -0.00802 0.00000 0.00000 93 3S -0.08532 -0.08532 0.08532 0.00000 0.00000 94 4S 0.24093 0.24093 -0.24093 0.00000 0.00000 95 5S -0.24595 -0.24595 0.24595 0.00000 0.00000 96 6PX 0.01381 0.01381 -0.01573 -0.02756 -0.02756 97 6PY -0.01573 -0.01381 0.01381 0.00000 -0.02756 98 6PZ -0.01381 -0.01573 0.01381 -0.02756 0.00000 99 7PX -0.02669 -0.02669 0.05159 0.11092 0.11092 100 7PY 0.05159 0.02669 -0.02669 0.00000 0.11092 101 7PZ 0.02669 0.05159 -0.02669 0.11092 0.00000 102 8PX 0.07000 0.07000 -0.18728 -0.35488 -0.35488 103 8PY -0.18728 -0.07000 0.07000 0.00000 -0.35488 104 8PZ -0.07000 -0.18728 0.07000 -0.35488 0.00000 105 9D 0 -0.04339 0.08677 0.04339 0.01662 0.00000 106 9D+1 -0.11777 0.04284 -0.04284 0.00000 -0.03794 107 9D-1 -0.04284 -0.04284 -0.11777 -0.03794 -0.03794 108 9D+2 -0.07515 0.00000 -0.07515 -0.00960 -0.01920 109 9D-2 0.04284 -0.11777 -0.04284 -0.03794 0.00000 110 6 O 1S 0.00145 0.00145 0.00145 0.00000 0.00000 111 2S 0.00521 0.00521 0.00521 0.00000 0.00000 112 3S -0.04101 -0.04101 -0.04101 0.00000 0.00000 113 4S 0.07157 0.07157 0.07157 0.00000 0.00000 114 5S 0.01661 0.01661 0.01661 0.00000 0.00000 115 6PX -0.01860 -0.01860 0.11506 -0.39118 -0.39118 116 6PY 0.11506 -0.01860 -0.01860 0.00000 0.39118 117 6PZ -0.01860 0.11506 -0.01860 0.39118 0.00000 118 7PX 0.01712 0.01712 -0.18918 0.61071 0.61071 119 7PY -0.18918 0.01712 0.01712 0.00000 -0.61071 120 7PZ 0.01712 -0.18918 0.01712 -0.61071 0.00000 121 8PX -0.01104 -0.01104 0.14278 -0.46030 -0.46030 122 8PY 0.14278 -0.01104 -0.01104 0.00000 0.46030 123 8PZ -0.01104 0.14278 -0.01104 0.46030 0.00000 124 9D 0 -0.12825 0.25650 -0.12825 -0.04549 0.00000 125 9D+1 0.31826 -0.17976 -0.17976 0.00000 0.13489 126 9D-1 -0.17976 -0.17976 0.31826 -0.13489 -0.13489 127 9D+2 -0.22214 0.00000 0.22214 0.02626 0.05252 128 9D-2 -0.17976 0.31826 -0.17976 0.13489 0.00000 129 7 O 1S 0.00145 -0.00145 -0.00145 0.00000 0.00000 130 2S 0.00521 -0.00521 -0.00521 0.00000 0.00000 131 3S -0.04101 0.04101 0.04101 0.00000 0.00000 132 4S 0.07157 -0.07157 -0.07157 0.00000 0.00000 133 5S 0.01661 -0.01661 -0.01661 0.00000 0.00000 134 6PX 0.01860 -0.01860 0.11506 0.39118 -0.39118 135 6PY 0.11506 0.01860 0.01860 0.00000 -0.39118 136 6PZ 0.01860 0.11506 -0.01860 -0.39118 0.00000 137 7PX -0.01712 0.01712 -0.18918 -0.61071 0.61071 138 7PY -0.18918 -0.01712 -0.01712 0.00000 0.61071 139 7PZ -0.01712 -0.18918 0.01712 0.61071 0.00000 140 8PX 0.01104 -0.01104 0.14278 0.46030 -0.46030 141 8PY 0.14278 0.01104 0.01104 0.00000 -0.46030 142 8PZ 0.01104 0.14278 -0.01104 -0.46030 0.00000 143 9D 0 -0.12825 -0.25650 0.12825 -0.04549 0.00000 144 9D+1 0.31826 0.17976 0.17976 0.00000 -0.13489 145 9D-1 0.17976 -0.17976 0.31826 0.13489 -0.13489 146 9D+2 -0.22214 0.00000 -0.22214 0.02626 -0.05252 147 9D-2 0.17976 0.31826 -0.17976 -0.13489 0.00000 148 8 O 1S -0.00145 -0.00145 0.00145 0.00000 0.00000 149 2S -0.00521 -0.00521 0.00521 0.00000 0.00000 150 3S 0.04101 0.04101 -0.04101 0.00000 0.00000 151 4S -0.07157 -0.07157 0.07157 0.00000 0.00000 152 5S -0.01661 -0.01661 0.01661 0.00000 0.00000 153 6PX 0.01860 0.01860 0.11506 0.39118 0.39118 154 6PY 0.11506 -0.01860 0.01860 0.00000 0.39118 155 6PZ -0.01860 0.11506 0.01860 0.39118 0.00000 156 7PX -0.01712 -0.01712 -0.18918 -0.61071 -0.61071 157 7PY -0.18918 0.01712 -0.01712 0.00000 -0.61071 158 7PZ 0.01712 -0.18918 -0.01712 -0.61071 0.00000 159 8PX 0.01104 0.01104 0.14278 0.46030 0.46030 160 8PY 0.14278 -0.01104 0.01104 0.00000 0.46030 161 8PZ -0.01104 0.14278 0.01104 0.46030 0.00000 162 9D 0 0.12825 -0.25650 -0.12825 0.04549 0.00000 163 9D+1 0.31826 -0.17976 0.17976 0.00000 0.13489 164 9D-1 0.17976 0.17976 0.31826 0.13489 0.13489 165 9D+2 0.22214 0.00000 0.22214 -0.02626 -0.05252 166 9D-2 -0.17976 0.31826 0.17976 0.13489 0.00000 167 9 O 1S -0.00145 0.00145 -0.00145 0.00000 0.00000 168 2S -0.00521 0.00521 -0.00521 0.00000 0.00000 169 3S 0.04101 -0.04101 0.04101 0.00000 0.00000 170 4S -0.07157 0.07157 -0.07157 0.00000 0.00000 171 5S -0.01661 0.01661 -0.01661 0.00000 0.00000 172 6PX -0.01860 0.01860 0.11506 -0.39118 0.39118 173 6PY 0.11506 0.01860 -0.01860 0.00000 -0.39118 174 6PZ 0.01860 0.11506 0.01860 -0.39118 0.00000 175 7PX 0.01712 -0.01712 -0.18918 0.61071 -0.61071 176 7PY -0.18918 -0.01712 0.01712 0.00000 0.61071 177 7PZ -0.01712 -0.18918 -0.01712 0.61071 0.00000 178 8PX -0.01104 0.01104 0.14278 -0.46030 0.46030 179 8PY 0.14278 0.01104 -0.01104 0.00000 -0.46030 180 8PZ 0.01104 0.14278 0.01104 -0.46030 0.00000 181 9D 0 0.12825 0.25650 0.12825 0.04549 0.00000 182 9D+1 0.31826 0.17976 -0.17976 0.00000 -0.13489 183 9D-1 -0.17976 0.17976 0.31826 -0.13489 0.13489 184 9D+2 0.22214 0.00000 -0.22214 -0.02626 0.05252 185 9D-2 0.17976 0.31826 0.17976 -0.13489 0.00000 151 152 153 154 155 (T1)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 2.62156 2.80711 2.91709 2.91709 2.91709 1 1 Ni 1S 0.00000 -0.01884 0.00000 0.00000 0.00000 2 2S 0.00000 0.01838 0.00000 0.00000 0.00000 3 3S 0.00000 -0.22467 0.00000 0.00000 0.00000 4 4S 0.00000 0.05444 0.00000 0.00000 0.00000 5 5S 0.00000 1.45754 0.00000 0.00000 0.00000 6 6S 0.00000 -0.58115 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.05437 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.05437 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.05437 10 8PX 0.00000 0.00000 0.19989 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.19989 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.19989 13 9PX 0.00000 0.00000 -0.18746 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.18746 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.18746 16 10PX 0.00000 0.00000 -1.40450 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -1.40450 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -1.40450 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.03570 0.00000 21 11D-1 0.00000 0.00000 0.03570 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.03570 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.08334 0.00000 26 12D-1 0.00000 0.00000 0.08334 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.08334 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -0.58318 0.00000 31 13D-1 0.00000 0.00000 -0.58318 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 -0.58318 34 2 C 1S 0.00000 0.00281 -0.00556 -0.00556 -0.00556 35 2S 0.00000 -0.00180 -0.00553 -0.00553 -0.00553 36 3S 0.00000 0.23683 -0.09547 -0.09547 -0.09547 37 4S 0.00000 -0.49621 -0.20715 -0.20715 -0.20715 38 5S 0.00000 0.51125 -0.07046 -0.07046 -0.07046 39 6PX 0.00000 -0.03485 0.04857 0.05463 0.05463 40 6PY 0.02756 -0.03485 0.05463 0.04857 0.05463 41 6PZ -0.02756 -0.03485 0.05463 0.05463 0.04857 42 7PX 0.00000 -0.03463 -0.22471 -0.23985 -0.23985 43 7PY -0.11092 -0.03463 -0.23985 -0.22471 -0.23985 44 7PZ 0.11092 -0.03463 -0.23985 -0.23985 -0.22471 45 8PX 0.00000 0.30674 -0.70538 -0.69892 -0.69892 46 8PY 0.35488 0.30674 -0.69892 -0.70538 -0.69892 47 8PZ -0.35488 0.30674 -0.69892 -0.69892 -0.70538 48 9D 0 -0.01662 0.00000 0.00315 0.00315 -0.00630 49 9D+1 0.03794 -0.25045 0.20218 0.21166 0.20218 50 9D-1 0.00000 -0.25045 0.21166 0.20218 0.20218 51 9D+2 -0.00960 0.00000 -0.00546 0.00546 0.00000 52 9D-2 -0.03794 -0.25045 0.20218 0.20218 0.21166 53 3 C 1S 0.00000 0.00281 0.00556 0.00556 -0.00556 54 2S 0.00000 -0.00180 0.00553 0.00553 -0.00553 55 3S 0.00000 0.23683 0.09547 0.09547 -0.09547 56 4S 0.00000 -0.49621 0.20715 0.20715 -0.20715 57 5S 0.00000 0.51125 0.07046 0.07046 -0.07046 58 6PX 0.00000 0.03485 0.04857 0.05463 -0.05463 59 6PY 0.02756 0.03485 0.05463 0.04857 -0.05463 60 6PZ 0.02756 -0.03485 -0.05463 -0.05463 0.04857 61 7PX 0.00000 0.03463 -0.22471 -0.23985 0.23985 62 7PY -0.11092 0.03463 -0.23985 -0.22471 0.23985 63 7PZ -0.11092 -0.03463 0.23985 0.23985 -0.22471 64 8PX 0.00000 -0.30674 -0.70538 -0.69892 0.69892 65 8PY 0.35488 -0.30674 -0.69892 -0.70538 0.69892 66 8PZ 0.35488 0.30674 0.69892 0.69892 -0.70538 67 9D 0 0.01662 0.00000 -0.00315 -0.00315 -0.00630 68 9D+1 0.03794 0.25045 0.20218 0.21166 -0.20218 69 9D-1 0.00000 0.25045 0.21166 0.20218 -0.20218 70 9D+2 0.00960 0.00000 0.00546 -0.00546 0.00000 71 9D-2 0.03794 -0.25045 -0.20218 -0.20218 0.21166 72 4 C 1S 0.00000 0.00281 0.00556 -0.00556 0.00556 73 2S 0.00000 -0.00180 0.00553 -0.00553 0.00553 74 3S 0.00000 0.23683 0.09547 -0.09547 0.09547 75 4S 0.00000 -0.49621 0.20715 -0.20715 0.20715 76 5S 0.00000 0.51125 0.07046 -0.07046 0.07046 77 6PX 0.00000 0.03485 0.04857 -0.05463 0.05463 78 6PY -0.02756 -0.03485 -0.05463 0.04857 -0.05463 79 6PZ -0.02756 0.03485 0.05463 -0.05463 0.04857 80 7PX 0.00000 0.03463 -0.22471 0.23985 -0.23985 81 7PY 0.11092 -0.03463 0.23985 -0.22471 0.23985 82 7PZ 0.11092 0.03463 -0.23985 0.23985 -0.22471 83 8PX 0.00000 -0.30674 -0.70538 0.69892 -0.69892 84 8PY -0.35488 0.30674 0.69892 -0.70538 0.69892 85 8PZ -0.35488 -0.30674 -0.69892 0.69892 -0.70538 86 9D 0 0.01662 0.00000 -0.00315 0.00315 0.00630 87 9D+1 -0.03794 -0.25045 -0.20218 0.21166 -0.20218 88 9D-1 0.00000 0.25045 0.21166 -0.20218 0.20218 89 9D+2 0.00960 0.00000 0.00546 0.00546 0.00000 90 9D-2 -0.03794 0.25045 0.20218 -0.20218 0.21166 91 5 C 1S 0.00000 0.00281 -0.00556 0.00556 0.00556 92 2S 0.00000 -0.00180 -0.00553 0.00553 0.00553 93 3S 0.00000 0.23683 -0.09547 0.09547 0.09547 94 4S 0.00000 -0.49621 -0.20715 0.20715 0.20715 95 5S 0.00000 0.51125 -0.07046 0.07046 0.07046 96 6PX 0.00000 -0.03485 0.04857 -0.05463 -0.05463 97 6PY -0.02756 0.03485 -0.05463 0.04857 0.05463 98 6PZ 0.02756 0.03485 -0.05463 0.05463 0.04857 99 7PX 0.00000 -0.03463 -0.22471 0.23985 0.23985 100 7PY 0.11092 0.03463 0.23985 -0.22471 -0.23985 101 7PZ -0.11092 0.03463 0.23985 -0.23985 -0.22471 102 8PX 0.00000 0.30674 -0.70538 0.69892 0.69892 103 8PY -0.35488 -0.30674 0.69892 -0.70538 -0.69892 104 8PZ 0.35488 -0.30674 0.69892 -0.69892 -0.70538 105 9D 0 -0.01662 0.00000 0.00315 -0.00315 0.00630 106 9D+1 -0.03794 0.25045 -0.20218 0.21166 0.20218 107 9D-1 0.00000 -0.25045 0.21166 -0.20218 -0.20218 108 9D+2 -0.00960 0.00000 -0.00546 -0.00546 0.00000 109 9D-2 0.03794 0.25045 -0.20218 0.20218 0.21166 110 6 O 1S 0.00000 0.00518 -0.02851 -0.02851 -0.02851 111 2S 0.00000 0.02223 -0.10236 -0.10236 -0.10236 112 3S 0.00000 -0.28262 0.82592 0.82592 0.82592 113 4S 0.00000 0.96678 -1.72810 -1.72810 -1.72810 114 5S 0.00000 -0.99159 2.32408 2.32408 2.32408 115 6PX 0.00000 -0.30921 0.26983 0.28462 0.28462 116 6PY -0.39118 -0.30921 0.28462 0.26983 0.28462 117 6PZ 0.39118 -0.30921 0.28462 0.28462 0.26983 118 7PX 0.00000 0.26530 -0.29587 -0.32196 -0.32196 119 7PY 0.61071 0.26530 -0.32196 -0.29587 -0.32196 120 7PZ -0.61071 0.26530 -0.32196 -0.32196 -0.29587 121 8PX 0.00000 -0.11817 -0.04116 -0.02312 -0.02312 122 8PY -0.46030 -0.11817 -0.02312 -0.04116 -0.02312 123 8PZ 0.46030 -0.11817 -0.02312 -0.02312 -0.04116 124 9D 0 -0.04549 0.00000 0.00810 0.00810 -0.01619 125 9D+1 -0.13489 0.05753 -0.01607 -0.01700 -0.01607 126 9D-1 0.00000 0.05753 -0.01700 -0.01607 -0.01607 127 9D+2 -0.02626 0.00000 -0.01402 0.01402 0.00000 128 9D-2 0.13489 0.05753 -0.01607 -0.01607 -0.01700 129 7 O 1S 0.00000 0.00518 0.02851 -0.02851 0.02851 130 2S 0.00000 0.02223 0.10236 -0.10236 0.10236 131 3S 0.00000 -0.28262 -0.82592 0.82592 -0.82592 132 4S 0.00000 0.96678 1.72810 -1.72810 1.72810 133 5S 0.00000 -0.99159 -2.32408 2.32408 -2.32408 134 6PX 0.00000 0.30921 0.26983 -0.28462 0.28462 135 6PY 0.39118 -0.30921 -0.28462 0.26983 -0.28462 136 6PZ 0.39118 0.30921 0.28462 -0.28462 0.26983 137 7PX 0.00000 -0.26530 -0.29587 0.32196 -0.32196 138 7PY -0.61071 0.26530 0.32196 -0.29587 0.32196 139 7PZ -0.61071 -0.26530 -0.32196 0.32196 -0.29587 140 8PX 0.00000 0.11817 -0.04116 0.02312 -0.02312 141 8PY 0.46030 -0.11817 0.02312 -0.04116 0.02312 142 8PZ 0.46030 0.11817 -0.02312 0.02312 -0.04116 143 9D 0 0.04549 0.00000 -0.00810 0.00810 0.01619 144 9D+1 0.13489 0.05753 0.01607 -0.01700 0.01607 145 9D-1 0.00000 -0.05753 -0.01700 0.01607 -0.01607 146 9D+2 0.02626 0.00000 0.01402 0.01402 0.00000 147 9D-2 0.13489 -0.05753 -0.01607 0.01607 -0.01700 148 8 O 1S 0.00000 0.00518 -0.02851 0.02851 0.02851 149 2S 0.00000 0.02223 -0.10236 0.10236 0.10236 150 3S 0.00000 -0.28262 0.82592 -0.82592 -0.82592 151 4S 0.00000 0.96678 -1.72810 1.72810 1.72810 152 5S 0.00000 -0.99159 2.32408 -2.32408 -2.32408 153 6PX 0.00000 -0.30921 0.26983 -0.28462 -0.28462 154 6PY 0.39118 0.30921 -0.28462 0.26983 0.28462 155 6PZ -0.39118 0.30921 -0.28462 0.28462 0.26983 156 7PX 0.00000 0.26530 -0.29587 0.32196 0.32196 157 7PY -0.61071 -0.26530 0.32196 -0.29587 -0.32196 158 7PZ 0.61071 -0.26530 0.32196 -0.32196 -0.29587 159 8PX 0.00000 -0.11817 -0.04116 0.02312 0.02312 160 8PY 0.46030 0.11817 0.02312 -0.04116 -0.02312 161 8PZ -0.46030 0.11817 0.02312 -0.02312 -0.04116 162 9D 0 -0.04549 0.00000 0.00810 -0.00810 0.01619 163 9D+1 0.13489 -0.05753 0.01607 -0.01700 -0.01607 164 9D-1 0.00000 0.05753 -0.01700 0.01607 0.01607 165 9D+2 -0.02626 0.00000 -0.01402 -0.01402 0.00000 166 9D-2 -0.13489 -0.05753 0.01607 -0.01607 -0.01700 167 9 O 1S 0.00000 0.00518 0.02851 0.02851 -0.02851 168 2S 0.00000 0.02223 0.10236 0.10236 -0.10236 169 3S 0.00000 -0.28262 -0.82592 -0.82592 0.82592 170 4S 0.00000 0.96678 1.72810 1.72810 -1.72810 171 5S 0.00000 -0.99159 -2.32408 -2.32408 2.32408 172 6PX 0.00000 0.30921 0.26983 0.28462 -0.28462 173 6PY -0.39118 0.30921 0.28462 0.26983 -0.28462 174 6PZ -0.39118 -0.30921 -0.28462 -0.28462 0.26983 175 7PX 0.00000 -0.26530 -0.29587 -0.32196 0.32196 176 7PY 0.61071 -0.26530 -0.32196 -0.29587 0.32196 177 7PZ 0.61071 0.26530 0.32196 0.32196 -0.29587 178 8PX 0.00000 0.11817 -0.04116 -0.02312 0.02312 179 8PY -0.46030 0.11817 -0.02312 -0.04116 0.02312 180 8PZ -0.46030 -0.11817 0.02312 0.02312 -0.04116 181 9D 0 0.04549 0.00000 -0.00810 -0.00810 -0.01619 182 9D+1 -0.13489 -0.05753 -0.01607 -0.01700 0.01607 183 9D-1 0.00000 -0.05753 -0.01700 -0.01607 0.01607 184 9D+2 0.02626 0.00000 0.01402 -0.01402 0.00000 185 9D-2 -0.13489 0.05753 0.01607 0.01607 -0.01700 156 157 158 159 160 (A1)--V (T2)--V (T2)--V (T2)--V (T1)--V Eigenvalues -- 3.10353 3.13478 3.13478 3.13478 3.25982 1 1 Ni 1S -0.00032 0.00000 0.00000 0.00000 0.00000 2 2S 0.00815 0.00000 0.00000 0.00000 0.00000 3 3S 0.00938 0.00000 0.00000 0.00000 0.00000 4 4S -0.07212 0.00000 0.00000 0.00000 0.00000 5 5S -0.67958 0.00000 0.00000 0.00000 0.00000 6 6S 2.04253 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.06262 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.06262 0.00000 9 7PZ 0.00000 0.06262 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.23494 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.23494 0.00000 12 8PZ 0.00000 -0.23494 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.26009 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.26009 0.00000 15 9PZ 0.00000 0.26009 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.51736 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.51736 0.00000 18 10PZ 0.00000 0.51736 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.02570 0.00000 21 11D-1 0.00000 0.00000 -0.02570 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.02570 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.07667 0.00000 26 12D-1 0.00000 0.00000 -0.07667 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 -0.07667 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.52036 0.00000 31 13D-1 0.00000 0.00000 0.52036 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.52036 0.00000 0.00000 0.00000 34 2 C 1S 0.00225 -0.00096 -0.00096 -0.00096 0.00000 35 2S -0.00051 -0.01434 -0.01434 -0.01434 0.00000 36 3S 0.13954 0.38034 0.38034 0.38034 0.00000 37 4S -0.83773 -1.33883 -1.33883 -1.33883 0.00000 38 5S -1.87900 -0.52312 -0.52312 -0.52312 0.00000 39 6PX 0.00908 -0.03987 0.00439 -0.03987 -0.01855 40 6PY 0.00908 -0.03987 -0.03987 0.00439 0.00000 41 6PZ 0.00908 0.00439 -0.03987 -0.03987 0.01855 42 7PX -0.14276 0.05039 0.00993 0.05039 -0.18151 43 7PY -0.14276 0.05039 0.05039 0.00993 0.00000 44 7PZ -0.14276 0.00993 0.05039 0.05039 0.18151 45 8PX -0.45729 -0.34542 -0.39273 -0.34542 0.13910 46 8PY -0.45729 -0.34542 -0.34542 -0.39273 0.00000 47 8PZ -0.45729 -0.39273 -0.34542 -0.34542 -0.13910 48 9D 0 0.00000 0.05009 -0.02505 -0.02505 0.27725 49 9D+1 -0.09176 -0.16922 -0.16922 -0.24794 0.00000 50 9D-1 -0.09176 -0.16922 -0.24794 -0.16922 0.16393 51 9D+2 0.00000 0.00000 0.04338 -0.04338 -0.16007 52 9D-2 -0.09176 -0.24794 -0.16922 -0.16922 -0.16393 53 3 C 1S 0.00225 -0.00096 0.00096 0.00096 0.00000 54 2S -0.00051 -0.01434 0.01434 0.01434 0.00000 55 3S 0.13954 0.38034 -0.38034 -0.38034 0.00000 56 4S -0.83773 -1.33883 1.33883 1.33883 0.00000 57 5S -1.87900 -0.52312 0.52312 0.52312 0.00000 58 6PX -0.00908 0.03987 0.00439 -0.03987 -0.01855 59 6PY -0.00908 0.03987 -0.03987 0.00439 0.00000 60 6PZ 0.00908 0.00439 0.03987 0.03987 -0.01855 61 7PX 0.14276 -0.05039 0.00993 0.05039 -0.18151 62 7PY 0.14276 -0.05039 0.05039 0.00993 0.00000 63 7PZ -0.14276 0.00993 -0.05039 -0.05039 -0.18151 64 8PX 0.45729 0.34542 -0.39273 -0.34542 0.13910 65 8PY 0.45729 0.34542 -0.34542 -0.39273 0.00000 66 8PZ -0.45729 -0.39273 0.34542 0.34542 0.13910 67 9D 0 0.00000 0.05009 0.02505 0.02505 -0.27725 68 9D+1 0.09176 0.16922 -0.16922 -0.24794 0.00000 69 9D-1 0.09176 0.16922 -0.24794 -0.16922 0.16393 70 9D+2 0.00000 0.00000 -0.04338 0.04338 0.16007 71 9D-2 -0.09176 -0.24794 0.16922 0.16922 0.16393 72 4 C 1S 0.00225 0.00096 0.00096 -0.00096 0.00000 73 2S -0.00051 0.01434 0.01434 -0.01434 0.00000 74 3S 0.13954 -0.38034 -0.38034 0.38034 0.00000 75 4S -0.83773 1.33883 1.33883 -1.33883 0.00000 76 5S -1.87900 0.52312 0.52312 -0.52312 0.00000 77 6PX -0.00908 -0.03987 0.00439 0.03987 0.01855 78 6PY 0.00908 0.03987 0.03987 0.00439 0.00000 79 6PZ -0.00908 0.00439 -0.03987 0.03987 -0.01855 80 7PX 0.14276 0.05039 0.00993 -0.05039 0.18151 81 7PY -0.14276 -0.05039 -0.05039 0.00993 0.00000 82 7PZ 0.14276 0.00993 0.05039 -0.05039 -0.18151 83 8PX 0.45729 -0.34542 -0.39273 0.34542 -0.13910 84 8PY -0.45729 0.34542 0.34542 -0.39273 0.00000 85 8PZ 0.45729 -0.39273 -0.34542 0.34542 0.13910 86 9D 0 0.00000 -0.05009 0.02505 -0.02505 0.27725 87 9D+1 -0.09176 0.16922 0.16922 -0.24794 0.00000 88 9D-1 0.09176 -0.16922 -0.24794 0.16922 -0.16393 89 9D+2 0.00000 0.00000 -0.04338 -0.04338 -0.16007 90 9D-2 0.09176 -0.24794 -0.16922 0.16922 0.16393 91 5 C 1S 0.00225 0.00096 -0.00096 0.00096 0.00000 92 2S -0.00051 0.01434 -0.01434 0.01434 0.00000 93 3S 0.13954 -0.38034 0.38034 -0.38034 0.00000 94 4S -0.83773 1.33883 -1.33883 1.33883 0.00000 95 5S -1.87900 0.52312 -0.52312 0.52312 0.00000 96 6PX 0.00908 0.03987 0.00439 0.03987 0.01855 97 6PY -0.00908 -0.03987 0.03987 0.00439 0.00000 98 6PZ -0.00908 0.00439 0.03987 -0.03987 0.01855 99 7PX -0.14276 -0.05039 0.00993 -0.05039 0.18151 100 7PY 0.14276 0.05039 -0.05039 0.00993 0.00000 101 7PZ 0.14276 0.00993 -0.05039 0.05039 0.18151 102 8PX -0.45729 0.34542 -0.39273 0.34542 -0.13910 103 8PY 0.45729 -0.34542 0.34542 -0.39273 0.00000 104 8PZ 0.45729 -0.39273 0.34542 -0.34542 -0.13910 105 9D 0 0.00000 -0.05009 -0.02505 0.02505 -0.27725 106 9D+1 0.09176 -0.16922 0.16922 -0.24794 0.00000 107 9D-1 -0.09176 0.16922 -0.24794 0.16922 -0.16393 108 9D+2 0.00000 0.00000 0.04338 0.04338 0.16007 109 9D-2 0.09176 -0.24794 0.16922 -0.16922 -0.16393 110 6 O 1S -0.06406 -0.05664 -0.05664 -0.05664 0.00000 111 2S -0.22284 -0.19508 -0.19508 -0.19508 0.00000 112 3S 1.61575 1.36524 1.36524 1.36524 0.00000 113 4S -2.74383 -2.11400 -2.11400 -2.11400 0.00000 114 5S 3.47650 2.42738 2.42738 2.42738 0.00000 115 6PX -0.01279 -0.11392 -0.08224 -0.11392 -0.13435 116 6PY -0.01279 -0.11392 -0.11392 -0.08224 0.00000 117 6PZ -0.01279 -0.08224 -0.11392 -0.11392 0.13435 118 7PX -0.04260 0.06804 -0.00471 0.06804 0.30835 119 7PY -0.04260 0.06804 0.06804 -0.00471 0.00000 120 7PZ -0.04260 -0.00471 0.06804 0.06804 -0.30835 121 8PX -0.39276 -0.33028 -0.29377 -0.33028 -0.10041 122 8PY -0.39276 -0.33028 -0.33028 -0.29377 0.00000 123 8PZ -0.39276 -0.29377 -0.33028 -0.33028 0.10041 124 9D 0 0.00000 0.08651 -0.04325 -0.04325 0.37485 125 9D+1 0.09919 0.11156 0.11156 0.05419 0.00000 126 9D-1 0.09919 0.11156 0.05419 0.11156 0.21575 127 9D+2 0.00000 0.00000 0.07492 -0.07492 -0.21642 128 9D-2 0.09919 0.05419 0.11156 0.11156 -0.21575 129 7 O 1S -0.06406 0.05664 0.05664 -0.05664 0.00000 130 2S -0.22284 0.19508 0.19508 -0.19508 0.00000 131 3S 1.61575 -1.36524 -1.36524 1.36524 0.00000 132 4S -2.74383 2.11400 2.11400 -2.11400 0.00000 133 5S 3.47650 -2.42738 -2.42738 2.42738 0.00000 134 6PX 0.01279 -0.11392 -0.08224 0.11392 0.13435 135 6PY -0.01279 0.11392 0.11392 -0.08224 0.00000 136 6PZ 0.01279 -0.08224 -0.11392 0.11392 -0.13435 137 7PX 0.04260 0.06804 -0.00471 -0.06804 -0.30835 138 7PY -0.04260 -0.06804 -0.06804 -0.00471 0.00000 139 7PZ 0.04260 -0.00471 0.06804 -0.06804 0.30835 140 8PX 0.39276 -0.33028 -0.29377 0.33028 0.10041 141 8PY -0.39276 0.33028 0.33028 -0.29377 0.00000 142 8PZ 0.39276 -0.29377 -0.33028 0.33028 -0.10041 143 9D 0 0.00000 -0.08651 0.04325 -0.04325 0.37485 144 9D+1 0.09919 -0.11156 -0.11156 0.05419 0.00000 145 9D-1 -0.09919 0.11156 0.05419 -0.11156 -0.21575 146 9D+2 0.00000 0.00000 -0.07492 -0.07492 -0.21642 147 9D-2 -0.09919 0.05419 0.11156 -0.11156 0.21575 148 8 O 1S -0.06406 0.05664 -0.05664 0.05664 0.00000 149 2S -0.22284 0.19508 -0.19508 0.19508 0.00000 150 3S 1.61575 -1.36524 1.36524 -1.36524 0.00000 151 4S -2.74383 2.11400 -2.11400 2.11400 0.00000 152 5S 3.47650 -2.42738 2.42738 -2.42738 0.00000 153 6PX -0.01279 0.11392 -0.08224 0.11392 0.13435 154 6PY 0.01279 -0.11392 0.11392 -0.08224 0.00000 155 6PZ 0.01279 -0.08224 0.11392 -0.11392 0.13435 156 7PX -0.04260 -0.06804 -0.00471 -0.06804 -0.30835 157 7PY 0.04260 0.06804 -0.06804 -0.00471 0.00000 158 7PZ 0.04260 -0.00471 -0.06804 0.06804 -0.30835 159 8PX -0.39276 0.33028 -0.29377 0.33028 0.10041 160 8PY 0.39276 -0.33028 0.33028 -0.29377 0.00000 161 8PZ 0.39276 -0.29377 0.33028 -0.33028 0.10041 162 9D 0 0.00000 -0.08651 -0.04325 0.04325 -0.37485 163 9D+1 -0.09919 0.11156 -0.11156 0.05419 0.00000 164 9D-1 0.09919 -0.11156 0.05419 -0.11156 -0.21575 165 9D+2 0.00000 0.00000 0.07492 0.07492 0.21642 166 9D-2 -0.09919 0.05419 -0.11156 0.11156 -0.21575 167 9 O 1S -0.06406 -0.05664 0.05664 0.05664 0.00000 168 2S -0.22284 -0.19508 0.19508 0.19508 0.00000 169 3S 1.61575 1.36524 -1.36524 -1.36524 0.00000 170 4S -2.74383 -2.11400 2.11400 2.11400 0.00000 171 5S 3.47650 2.42738 -2.42738 -2.42738 0.00000 172 6PX 0.01279 0.11392 -0.08224 -0.11392 -0.13435 173 6PY 0.01279 0.11392 -0.11392 -0.08224 0.00000 174 6PZ -0.01279 -0.08224 0.11392 0.11392 -0.13435 175 7PX 0.04260 -0.06804 -0.00471 0.06804 0.30835 176 7PY 0.04260 -0.06804 0.06804 -0.00471 0.00000 177 7PZ -0.04260 -0.00471 -0.06804 -0.06804 0.30835 178 8PX 0.39276 0.33028 -0.29377 -0.33028 -0.10041 179 8PY 0.39276 0.33028 -0.33028 -0.29377 0.00000 180 8PZ -0.39276 -0.29377 0.33028 0.33028 -0.10041 181 9D 0 0.00000 0.08651 0.04325 0.04325 -0.37485 182 9D+1 -0.09919 -0.11156 0.11156 0.05419 0.00000 183 9D-1 -0.09919 -0.11156 0.05419 0.11156 0.21575 184 9D+2 0.00000 0.00000 -0.07492 0.07492 0.21642 185 9D-2 0.09919 0.05419 -0.11156 -0.11156 0.21575 161 162 163 164 165 (T1)--V (T1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 3.25982 3.25982 3.28162 3.28162 3.28162 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.01288 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.01288 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.01288 10 8PX 0.00000 0.00000 -0.05214 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.05214 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 -0.05214 13 9PX 0.00000 0.00000 0.08346 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.08346 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.08346 16 10PX 0.00000 0.00000 -0.02020 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -0.02020 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.02020 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.08789 0.00000 21 11D-1 0.00000 0.00000 -0.08789 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 -0.08789 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.05125 0.00000 26 12D-1 0.00000 0.00000 0.05125 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.05125 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.17802 0.00000 31 13D-1 0.00000 0.00000 0.17802 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.17802 34 2 C 1S 0.00000 0.00000 0.00028 0.00028 0.00028 35 2S 0.00000 0.00000 -0.00312 -0.00312 -0.00312 36 3S 0.00000 0.00000 0.07884 0.07884 0.07884 37 4S 0.00000 0.00000 -0.24507 -0.24507 -0.24507 38 5S 0.00000 0.00000 -0.12311 -0.12311 -0.12311 39 6PX 0.00000 0.01855 -0.03269 0.01667 0.01667 40 6PY -0.01855 -0.01855 0.01667 -0.03269 0.01667 41 6PZ 0.01855 0.00000 0.01667 0.01667 -0.03269 42 7PX 0.00000 0.18151 -0.16294 0.09324 0.09324 43 7PY -0.18151 -0.18151 0.09324 -0.16294 0.09324 44 7PZ 0.18151 0.00000 0.09324 0.09324 -0.16294 45 8PX 0.00000 -0.13910 0.01398 -0.11720 -0.11720 46 8PY 0.13910 0.13910 -0.11720 0.01398 -0.11720 47 8PZ -0.13910 0.00000 -0.11720 -0.11720 0.01398 48 9D 0 0.27725 0.00000 0.16530 0.16530 -0.33059 49 9D+1 0.16393 0.16393 -0.13962 0.13698 -0.13962 50 9D-1 0.00000 -0.16393 0.13698 -0.13962 -0.13962 51 9D+2 0.16007 0.32014 -0.28630 0.28630 0.00000 52 9D-2 -0.16393 0.00000 -0.13962 -0.13962 0.13698 53 3 C 1S 0.00000 0.00000 -0.00028 -0.00028 0.00028 54 2S 0.00000 0.00000 0.00312 0.00312 -0.00312 55 3S 0.00000 0.00000 -0.07884 -0.07884 0.07884 56 4S 0.00000 0.00000 0.24507 0.24507 -0.24507 57 5S 0.00000 0.00000 0.12311 0.12311 -0.12311 58 6PX 0.00000 -0.01855 -0.03269 0.01667 -0.01667 59 6PY -0.01855 0.01855 0.01667 -0.03269 -0.01667 60 6PZ -0.01855 0.00000 -0.01667 -0.01667 -0.03269 61 7PX 0.00000 -0.18151 -0.16294 0.09324 -0.09324 62 7PY -0.18151 0.18151 0.09324 -0.16294 -0.09324 63 7PZ -0.18151 0.00000 -0.09324 -0.09324 -0.16294 64 8PX 0.00000 0.13910 0.01398 -0.11720 0.11720 65 8PY 0.13910 -0.13910 -0.11720 0.01398 0.11720 66 8PZ 0.13910 0.00000 0.11720 0.11720 0.01398 67 9D 0 -0.27725 0.00000 -0.16530 -0.16530 -0.33059 68 9D+1 0.16393 -0.16393 -0.13962 0.13698 0.13962 69 9D-1 0.00000 0.16393 0.13698 -0.13962 0.13962 70 9D+2 -0.16007 0.32014 0.28630 -0.28630 0.00000 71 9D-2 0.16393 0.00000 0.13962 0.13962 0.13698 72 4 C 1S 0.00000 0.00000 -0.00028 0.00028 -0.00028 73 2S 0.00000 0.00000 0.00312 -0.00312 0.00312 74 3S 0.00000 0.00000 -0.07884 0.07884 -0.07884 75 4S 0.00000 0.00000 0.24507 -0.24507 0.24507 76 5S 0.00000 0.00000 0.12311 -0.12311 0.12311 77 6PX 0.00000 0.01855 -0.03269 -0.01667 0.01667 78 6PY 0.01855 0.01855 -0.01667 -0.03269 -0.01667 79 6PZ 0.01855 0.00000 0.01667 -0.01667 -0.03269 80 7PX 0.00000 0.18151 -0.16294 -0.09324 0.09324 81 7PY 0.18151 0.18151 -0.09324 -0.16294 -0.09324 82 7PZ 0.18151 0.00000 0.09324 -0.09324 -0.16294 83 8PX 0.00000 -0.13910 0.01398 0.11720 -0.11720 84 8PY -0.13910 -0.13910 0.11720 0.01398 0.11720 85 8PZ -0.13910 0.00000 -0.11720 0.11720 0.01398 86 9D 0 -0.27725 0.00000 -0.16530 0.16530 0.33059 87 9D+1 -0.16393 -0.16393 0.13962 0.13698 0.13962 88 9D-1 0.00000 -0.16393 0.13698 0.13962 -0.13962 89 9D+2 -0.16007 -0.32014 0.28630 0.28630 0.00000 90 9D-2 -0.16393 0.00000 -0.13962 0.13962 0.13698 91 5 C 1S 0.00000 0.00000 0.00028 -0.00028 -0.00028 92 2S 0.00000 0.00000 -0.00312 0.00312 0.00312 93 3S 0.00000 0.00000 0.07884 -0.07884 -0.07884 94 4S 0.00000 0.00000 -0.24507 0.24507 0.24507 95 5S 0.00000 0.00000 -0.12311 0.12311 0.12311 96 6PX 0.00000 -0.01855 -0.03269 -0.01667 -0.01667 97 6PY 0.01855 -0.01855 -0.01667 -0.03269 0.01667 98 6PZ -0.01855 0.00000 -0.01667 0.01667 -0.03269 99 7PX 0.00000 -0.18151 -0.16294 -0.09324 -0.09324 100 7PY 0.18151 -0.18151 -0.09324 -0.16294 0.09324 101 7PZ -0.18151 0.00000 -0.09324 0.09324 -0.16294 102 8PX 0.00000 0.13910 0.01398 0.11720 0.11720 103 8PY -0.13910 0.13910 0.11720 0.01398 -0.11720 104 8PZ 0.13910 0.00000 0.11720 -0.11720 0.01398 105 9D 0 0.27725 0.00000 0.16530 -0.16530 0.33059 106 9D+1 -0.16393 0.16393 0.13962 0.13698 -0.13962 107 9D-1 0.00000 0.16393 0.13698 0.13962 0.13962 108 9D+2 0.16007 -0.32014 -0.28630 -0.28630 0.00000 109 9D-2 0.16393 0.00000 0.13962 -0.13962 0.13698 110 6 O 1S 0.00000 0.00000 -0.01025 -0.01025 -0.01025 111 2S 0.00000 0.00000 -0.03519 -0.03519 -0.03519 112 3S 0.00000 0.00000 0.24825 0.24825 0.24825 113 4S 0.00000 0.00000 -0.38100 -0.38100 -0.38100 114 5S 0.00000 0.00000 0.46183 0.46183 0.46183 115 6PX 0.00000 0.13435 -0.16728 0.04590 0.04590 116 6PY -0.13435 -0.13435 0.04590 -0.16728 0.04590 117 6PZ 0.13435 0.00000 0.04590 0.04590 -0.16728 118 7PX 0.00000 -0.30835 0.34336 -0.15346 -0.15346 119 7PY 0.30835 0.30835 -0.15346 0.34336 -0.15346 120 7PZ -0.30835 0.00000 -0.15346 -0.15346 0.34336 121 8PX 0.00000 0.10041 -0.14221 -0.01610 -0.01610 122 8PY -0.10041 -0.10041 -0.01610 -0.14221 -0.01610 123 8PZ 0.10041 0.00000 -0.01610 -0.01610 -0.14221 124 9D 0 0.37485 0.00000 0.21032 0.21032 -0.42064 125 9D+1 0.21575 0.21575 -0.11299 0.25578 -0.11299 126 9D-1 0.00000 -0.21575 0.25578 -0.11299 -0.11299 127 9D+2 0.21642 0.43284 -0.36429 0.36429 0.00000 128 9D-2 -0.21575 0.00000 -0.11299 -0.11299 0.25578 129 7 O 1S 0.00000 0.00000 0.01025 -0.01025 0.01025 130 2S 0.00000 0.00000 0.03519 -0.03519 0.03519 131 3S 0.00000 0.00000 -0.24825 0.24825 -0.24825 132 4S 0.00000 0.00000 0.38100 -0.38100 0.38100 133 5S 0.00000 0.00000 -0.46183 0.46183 -0.46183 134 6PX 0.00000 0.13435 -0.16728 -0.04590 0.04590 135 6PY 0.13435 0.13435 -0.04590 -0.16728 -0.04590 136 6PZ 0.13435 0.00000 0.04590 -0.04590 -0.16728 137 7PX 0.00000 -0.30835 0.34336 0.15346 -0.15346 138 7PY -0.30835 -0.30835 0.15346 0.34336 0.15346 139 7PZ -0.30835 0.00000 -0.15346 0.15346 0.34336 140 8PX 0.00000 0.10041 -0.14221 0.01610 -0.01610 141 8PY 0.10041 0.10041 0.01610 -0.14221 0.01610 142 8PZ 0.10041 0.00000 -0.01610 0.01610 -0.14221 143 9D 0 -0.37485 0.00000 -0.21032 0.21032 0.42064 144 9D+1 -0.21575 -0.21575 0.11299 0.25578 0.11299 145 9D-1 0.00000 -0.21575 0.25578 0.11299 -0.11299 146 9D+2 -0.21642 -0.43284 0.36429 0.36429 0.00000 147 9D-2 -0.21575 0.00000 -0.11299 0.11299 0.25578 148 8 O 1S 0.00000 0.00000 -0.01025 0.01025 0.01025 149 2S 0.00000 0.00000 -0.03519 0.03519 0.03519 150 3S 0.00000 0.00000 0.24825 -0.24825 -0.24825 151 4S 0.00000 0.00000 -0.38100 0.38100 0.38100 152 5S 0.00000 0.00000 0.46183 -0.46183 -0.46183 153 6PX 0.00000 -0.13435 -0.16728 -0.04590 -0.04590 154 6PY 0.13435 -0.13435 -0.04590 -0.16728 0.04590 155 6PZ -0.13435 0.00000 -0.04590 0.04590 -0.16728 156 7PX 0.00000 0.30835 0.34336 0.15346 0.15346 157 7PY -0.30835 0.30835 0.15346 0.34336 -0.15346 158 7PZ 0.30835 0.00000 0.15346 -0.15346 0.34336 159 8PX 0.00000 -0.10041 -0.14221 0.01610 0.01610 160 8PY 0.10041 -0.10041 0.01610 -0.14221 -0.01610 161 8PZ -0.10041 0.00000 0.01610 -0.01610 -0.14221 162 9D 0 0.37485 0.00000 0.21032 -0.21032 0.42064 163 9D+1 -0.21575 0.21575 0.11299 0.25578 -0.11299 164 9D-1 0.00000 0.21575 0.25578 0.11299 0.11299 165 9D+2 0.21642 -0.43284 -0.36429 -0.36429 0.00000 166 9D-2 0.21575 0.00000 0.11299 -0.11299 0.25578 167 9 O 1S 0.00000 0.00000 0.01025 0.01025 -0.01025 168 2S 0.00000 0.00000 0.03519 0.03519 -0.03519 169 3S 0.00000 0.00000 -0.24825 -0.24825 0.24825 170 4S 0.00000 0.00000 0.38100 0.38100 -0.38100 171 5S 0.00000 0.00000 -0.46183 -0.46183 0.46183 172 6PX 0.00000 -0.13435 -0.16728 0.04590 -0.04590 173 6PY -0.13435 0.13435 0.04590 -0.16728 -0.04590 174 6PZ -0.13435 0.00000 -0.04590 -0.04590 -0.16728 175 7PX 0.00000 0.30835 0.34336 -0.15346 0.15346 176 7PY 0.30835 -0.30835 -0.15346 0.34336 0.15346 177 7PZ 0.30835 0.00000 0.15346 0.15346 0.34336 178 8PX 0.00000 -0.10041 -0.14221 -0.01610 0.01610 179 8PY -0.10041 0.10041 -0.01610 -0.14221 0.01610 180 8PZ -0.10041 0.00000 0.01610 0.01610 -0.14221 181 9D 0 -0.37485 0.00000 -0.21032 -0.21032 -0.42064 182 9D+1 0.21575 -0.21575 -0.11299 0.25578 0.11299 183 9D-1 0.00000 0.21575 0.25578 -0.11299 0.11299 184 9D+2 -0.21642 0.43284 0.36429 -0.36429 0.00000 185 9D-2 0.21575 0.00000 0.11299 0.11299 0.25578 166 167 168 169 170 (E)--V (E)--V (A1)--V (E)--V (E)--V Eigenvalues -- 3.29910 3.29910 3.64711 4.21099 4.21099 1 1 Ni 1S 0.00000 0.00000 0.16401 0.00000 0.00000 2 2S 0.00000 0.00000 0.15552 0.00000 0.00000 3 3S 0.00000 0.00000 2.49068 0.00000 0.00000 4 4S 0.00000 0.00000 -3.53579 0.00000 0.00000 5 5S 0.00000 0.00000 4.47607 0.00000 0.00000 6 6S 0.00000 0.00000 0.62090 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.04731 -0.14259 0.00000 -0.83468 -0.42199 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 -0.14259 -0.04731 0.00000 0.42199 -0.83468 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 -0.04011 0.12087 0.00000 1.28392 0.64912 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.12087 0.04011 0.00000 -0.64912 1.28392 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 -0.03583 0.10798 0.00000 -0.79332 -0.40108 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.10798 0.03583 0.00000 0.40108 -0.79332 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00708 0.00000 0.00000 35 2S 0.00000 0.00000 0.02162 0.00000 0.00000 36 3S 0.00000 0.00000 -0.08503 0.00000 0.00000 37 4S 0.00000 0.00000 0.02601 0.00000 0.00000 38 5S 0.00000 0.00000 -0.57498 0.00000 0.00000 39 6PX 0.04157 -0.00857 -0.10151 0.02713 -0.01774 40 6PY -0.02820 -0.03172 -0.10151 0.00180 0.03237 41 6PZ -0.01337 0.04028 -0.10151 -0.02893 -0.01463 42 7PX 0.14744 -0.03038 0.27492 -0.07495 0.04901 43 7PY -0.10003 -0.11249 0.27492 -0.00497 -0.08941 44 7PZ -0.04741 0.14287 0.27492 0.07991 0.04040 45 8PX -0.08202 0.01690 0.48458 -0.05076 0.03319 46 8PY 0.05565 0.06258 0.48458 -0.00336 -0.06056 47 8PZ 0.02637 -0.07948 0.48458 0.05412 0.02736 48 9D 0 -0.10687 0.32209 0.00000 -0.10273 -0.05194 49 9D+1 0.13052 0.14678 -0.05968 -0.00483 -0.08691 50 9D-1 -0.19238 0.03964 -0.05968 -0.07285 0.04764 51 9D+2 0.32209 0.10687 0.00000 0.05194 -0.10273 52 9D-2 0.06186 -0.18643 -0.05968 0.07768 0.03927 53 3 C 1S 0.00000 0.00000 0.00708 0.00000 0.00000 54 2S 0.00000 0.00000 0.02162 0.00000 0.00000 55 3S 0.00000 0.00000 -0.08503 0.00000 0.00000 56 4S 0.00000 0.00000 0.02601 0.00000 0.00000 57 5S 0.00000 0.00000 -0.57498 0.00000 0.00000 58 6PX -0.04157 0.00857 0.10151 -0.02713 0.01774 59 6PY 0.02820 0.03172 0.10151 -0.00180 -0.03237 60 6PZ -0.01337 0.04028 -0.10151 -0.02893 -0.01463 61 7PX -0.14744 0.03038 -0.27492 0.07495 -0.04901 62 7PY 0.10003 0.11249 -0.27492 0.00497 0.08941 63 7PZ -0.04741 0.14287 0.27492 0.07991 0.04040 64 8PX 0.08202 -0.01690 -0.48458 0.05076 -0.03319 65 8PY -0.05565 -0.06258 -0.48458 0.00336 0.06056 66 8PZ 0.02637 -0.07948 0.48458 0.05412 0.02736 67 9D 0 -0.10687 0.32209 0.00000 -0.10273 -0.05194 68 9D+1 -0.13052 -0.14678 0.05968 0.00483 0.08691 69 9D-1 0.19238 -0.03964 0.05968 0.07285 -0.04764 70 9D+2 0.32209 0.10687 0.00000 0.05194 -0.10273 71 9D-2 0.06186 -0.18643 -0.05968 0.07768 0.03927 72 4 C 1S 0.00000 0.00000 0.00708 0.00000 0.00000 73 2S 0.00000 0.00000 0.02162 0.00000 0.00000 74 3S 0.00000 0.00000 -0.08503 0.00000 0.00000 75 4S 0.00000 0.00000 0.02601 0.00000 0.00000 76 5S 0.00000 0.00000 -0.57498 0.00000 0.00000 77 6PX -0.04157 0.00857 0.10151 -0.02713 0.01774 78 6PY -0.02820 -0.03172 -0.10151 0.00180 0.03237 79 6PZ 0.01337 -0.04028 0.10151 0.02893 0.01463 80 7PX -0.14744 0.03038 -0.27492 0.07495 -0.04901 81 7PY -0.10003 -0.11249 0.27492 -0.00497 -0.08941 82 7PZ 0.04741 -0.14287 -0.27492 -0.07991 -0.04040 83 8PX 0.08202 -0.01690 -0.48458 0.05076 -0.03319 84 8PY 0.05565 0.06258 0.48458 -0.00336 -0.06056 85 8PZ -0.02637 0.07948 -0.48458 -0.05412 -0.02736 86 9D 0 -0.10687 0.32209 0.00000 -0.10273 -0.05194 87 9D+1 0.13052 0.14678 -0.05968 -0.00483 -0.08691 88 9D-1 0.19238 -0.03964 0.05968 0.07285 -0.04764 89 9D+2 0.32209 0.10687 0.00000 0.05194 -0.10273 90 9D-2 -0.06186 0.18643 0.05968 -0.07768 -0.03927 91 5 C 1S 0.00000 0.00000 0.00708 0.00000 0.00000 92 2S 0.00000 0.00000 0.02162 0.00000 0.00000 93 3S 0.00000 0.00000 -0.08503 0.00000 0.00000 94 4S 0.00000 0.00000 0.02601 0.00000 0.00000 95 5S 0.00000 0.00000 -0.57498 0.00000 0.00000 96 6PX 0.04157 -0.00857 -0.10151 0.02713 -0.01774 97 6PY 0.02820 0.03172 0.10151 -0.00180 -0.03237 98 6PZ 0.01337 -0.04028 0.10151 0.02893 0.01463 99 7PX 0.14744 -0.03038 0.27492 -0.07495 0.04901 100 7PY 0.10003 0.11249 -0.27492 0.00497 0.08941 101 7PZ 0.04741 -0.14287 -0.27492 -0.07991 -0.04040 102 8PX -0.08202 0.01690 0.48458 -0.05076 0.03319 103 8PY -0.05565 -0.06258 -0.48458 0.00336 0.06056 104 8PZ -0.02637 0.07948 -0.48458 -0.05412 -0.02736 105 9D 0 -0.10687 0.32209 0.00000 -0.10273 -0.05194 106 9D+1 -0.13052 -0.14678 0.05968 0.00483 0.08691 107 9D-1 -0.19238 0.03964 -0.05968 -0.07285 0.04764 108 9D+2 0.32209 0.10687 0.00000 0.05194 -0.10273 109 9D-2 -0.06186 0.18643 0.05968 -0.07768 -0.03927 110 6 O 1S 0.00000 0.00000 0.00504 0.00000 0.00000 111 2S 0.00000 0.00000 0.01848 0.00000 0.00000 112 3S 0.00000 0.00000 -0.17644 0.00000 0.00000 113 4S 0.00000 0.00000 0.32832 0.00000 0.00000 114 5S 0.00000 0.00000 -0.78490 0.00000 0.00000 115 6PX 0.13897 -0.02864 -0.02383 0.01705 -0.01115 116 6PY -0.09429 -0.10604 -0.02383 0.00113 0.02034 117 6PZ -0.04469 0.13467 -0.02383 -0.01818 -0.00919 118 7PX -0.32748 0.06748 0.02513 -0.06370 0.04165 119 7PY 0.22218 0.24987 0.02513 -0.00422 -0.07599 120 7PZ 0.10530 -0.31735 0.02513 0.06792 0.03434 121 8PX 0.08715 -0.01796 -0.02671 0.07474 -0.04887 122 8PY -0.05913 -0.06650 -0.02671 0.00495 0.08917 123 8PZ -0.02802 0.08446 -0.02671 -0.07970 -0.04029 124 9D 0 -0.13380 0.40323 0.00000 -0.05059 -0.02558 125 9D+1 0.16205 0.18225 0.10102 -0.00149 -0.02681 126 9D-1 -0.23886 0.04922 0.10102 -0.02247 0.01470 127 9D+2 0.40323 0.13380 0.00000 0.02558 -0.05059 128 9D-2 0.07680 -0.23147 0.10102 0.02396 0.01212 129 7 O 1S 0.00000 0.00000 0.00504 0.00000 0.00000 130 2S 0.00000 0.00000 0.01848 0.00000 0.00000 131 3S 0.00000 0.00000 -0.17644 0.00000 0.00000 132 4S 0.00000 0.00000 0.32832 0.00000 0.00000 133 5S 0.00000 0.00000 -0.78490 0.00000 0.00000 134 6PX -0.13897 0.02864 0.02383 -0.01705 0.01115 135 6PY -0.09429 -0.10604 -0.02383 0.00113 0.02034 136 6PZ 0.04469 -0.13467 0.02383 0.01818 0.00919 137 7PX 0.32748 -0.06748 -0.02513 0.06370 -0.04165 138 7PY 0.22218 0.24987 0.02513 -0.00422 -0.07599 139 7PZ -0.10530 0.31735 -0.02513 -0.06792 -0.03434 140 8PX -0.08715 0.01796 0.02671 -0.07474 0.04887 141 8PY -0.05913 -0.06650 -0.02671 0.00495 0.08917 142 8PZ 0.02802 -0.08446 0.02671 0.07970 0.04029 143 9D 0 -0.13380 0.40323 0.00000 -0.05059 -0.02558 144 9D+1 0.16205 0.18225 0.10102 -0.00149 -0.02681 145 9D-1 0.23886 -0.04922 -0.10102 0.02247 -0.01470 146 9D+2 0.40323 0.13380 0.00000 0.02558 -0.05059 147 9D-2 -0.07680 0.23147 -0.10102 -0.02396 -0.01212 148 8 O 1S 0.00000 0.00000 0.00504 0.00000 0.00000 149 2S 0.00000 0.00000 0.01848 0.00000 0.00000 150 3S 0.00000 0.00000 -0.17644 0.00000 0.00000 151 4S 0.00000 0.00000 0.32832 0.00000 0.00000 152 5S 0.00000 0.00000 -0.78490 0.00000 0.00000 153 6PX 0.13897 -0.02864 -0.02383 0.01705 -0.01115 154 6PY 0.09429 0.10604 0.02383 -0.00113 -0.02034 155 6PZ 0.04469 -0.13467 0.02383 0.01818 0.00919 156 7PX -0.32748 0.06748 0.02513 -0.06370 0.04165 157 7PY -0.22218 -0.24987 -0.02513 0.00422 0.07599 158 7PZ -0.10530 0.31735 -0.02513 -0.06792 -0.03434 159 8PX 0.08715 -0.01796 -0.02671 0.07474 -0.04887 160 8PY 0.05913 0.06650 0.02671 -0.00495 -0.08917 161 8PZ 0.02802 -0.08446 0.02671 0.07970 0.04029 162 9D 0 -0.13380 0.40323 0.00000 -0.05059 -0.02558 163 9D+1 -0.16205 -0.18225 -0.10102 0.00149 0.02681 164 9D-1 -0.23886 0.04922 0.10102 -0.02247 0.01470 165 9D+2 0.40323 0.13380 0.00000 0.02558 -0.05059 166 9D-2 -0.07680 0.23147 -0.10102 -0.02396 -0.01212 167 9 O 1S 0.00000 0.00000 0.00504 0.00000 0.00000 168 2S 0.00000 0.00000 0.01848 0.00000 0.00000 169 3S 0.00000 0.00000 -0.17644 0.00000 0.00000 170 4S 0.00000 0.00000 0.32832 0.00000 0.00000 171 5S 0.00000 0.00000 -0.78490 0.00000 0.00000 172 6PX -0.13897 0.02864 0.02383 -0.01705 0.01115 173 6PY 0.09429 0.10604 0.02383 -0.00113 -0.02034 174 6PZ -0.04469 0.13467 -0.02383 -0.01818 -0.00919 175 7PX 0.32748 -0.06748 -0.02513 0.06370 -0.04165 176 7PY -0.22218 -0.24987 -0.02513 0.00422 0.07599 177 7PZ 0.10530 -0.31735 0.02513 0.06792 0.03434 178 8PX -0.08715 0.01796 0.02671 -0.07474 0.04887 179 8PY 0.05913 0.06650 0.02671 -0.00495 -0.08917 180 8PZ -0.02802 0.08446 -0.02671 -0.07970 -0.04029 181 9D 0 -0.13380 0.40323 0.00000 -0.05059 -0.02558 182 9D+1 -0.16205 -0.18225 -0.10102 0.00149 0.02681 183 9D-1 0.23886 -0.04922 -0.10102 0.02247 -0.01470 184 9D+2 0.40323 0.13380 0.00000 0.02558 -0.05059 185 9D-2 0.07680 -0.23147 0.10102 0.02396 0.01212 171 172 173 174 175 (T2)--V (T2)--V (T2)--V (A1)--V (T2)--V Eigenvalues -- 4.21103 4.21103 4.21103 4.39264 4.52280 1 1 Ni 1S 0.00000 0.00000 0.00000 0.04528 0.00000 2 2S 0.00000 0.00000 0.00000 0.05700 0.00000 3 3S 0.00000 0.00000 0.00000 0.71136 0.00000 4 4S 0.00000 0.00000 0.00000 -1.18033 0.00000 5 5S 0.00000 0.00000 0.00000 2.76487 0.00000 6 6S 0.00000 0.00000 0.00000 0.70824 0.00000 7 7PX 0.00000 0.00000 -0.00322 0.00000 0.00000 8 7PY 0.00000 -0.00322 0.00000 0.00000 -0.01870 9 7PZ -0.00322 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.02314 0.00000 0.00000 11 8PY 0.00000 0.02314 0.00000 0.00000 0.07963 12 8PZ 0.02314 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 -0.12181 0.00000 0.00000 14 9PY 0.00000 -0.12181 0.00000 0.00000 -0.20256 15 9PZ -0.12181 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.30029 0.00000 0.00000 17 10PY 0.00000 0.30029 0.00000 0.00000 1.98269 18 10PZ 0.30029 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.56712 0.00000 0.00000 0.75635 21 11D-1 0.00000 0.00000 0.56712 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.56712 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.92694 0.00000 0.00000 -1.27951 26 12D-1 0.00000 0.00000 -0.92694 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -0.92694 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.68982 0.00000 0.00000 1.33343 31 13D-1 0.00000 0.00000 0.68982 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.68982 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.02744 0.02744 0.02744 -0.03266 -0.01608 35 2S 0.09126 0.09126 0.09126 -0.11136 -0.06007 36 3S -0.50053 -0.50053 -0.50053 0.68653 0.40502 37 4S -0.86384 -0.86384 -0.86384 1.07364 0.63405 38 5S 0.05536 0.05536 0.05536 -0.71450 -0.64503 39 6PX -0.24479 -0.24479 -0.24167 0.27894 0.17834 40 6PY -0.24479 -0.24167 -0.24479 0.27894 0.20196 41 6PZ -0.24167 -0.24479 -0.24479 0.27894 0.17834 42 7PX -0.33004 -0.33004 -0.33462 0.84867 0.76102 43 7PY -0.33004 -0.33462 -0.33004 0.84867 0.66609 44 7PZ -0.33462 -0.33004 -0.33004 0.84867 0.76102 45 8PX 0.04989 0.04989 0.07585 0.19117 0.35201 46 8PY 0.04989 0.07585 0.04989 0.19117 0.36219 47 8PZ 0.07585 0.04989 0.04989 0.19117 0.35201 48 9D 0 -0.05813 0.02906 0.02906 0.00000 0.01986 49 9D+1 -0.27167 -0.25563 -0.27167 0.32480 0.18855 50 9D-1 -0.27167 -0.27167 -0.25563 0.32480 0.18148 51 9D+2 0.00000 0.05034 -0.05034 0.00000 0.03441 52 9D-2 -0.25563 -0.27167 -0.27167 0.32480 0.18148 53 3 C 1S 0.02744 -0.02744 -0.02744 -0.03266 0.01608 54 2S 0.09126 -0.09126 -0.09126 -0.11136 0.06007 55 3S -0.50053 0.50053 0.50053 0.68653 -0.40502 56 4S -0.86384 0.86384 0.86384 1.07364 -0.63405 57 5S 0.05536 -0.05536 -0.05536 -0.71450 0.64503 58 6PX 0.24479 -0.24479 -0.24167 -0.27894 0.17834 59 6PY 0.24479 -0.24167 -0.24479 -0.27894 0.20196 60 6PZ -0.24167 0.24479 0.24479 0.27894 -0.17834 61 7PX 0.33004 -0.33004 -0.33462 -0.84867 0.76102 62 7PY 0.33004 -0.33462 -0.33004 -0.84867 0.66609 63 7PZ -0.33462 0.33004 0.33004 0.84867 -0.76102 64 8PX -0.04989 0.04989 0.07585 -0.19117 0.35201 65 8PY -0.04989 0.07585 0.04989 -0.19117 0.36219 66 8PZ 0.07585 -0.04989 -0.04989 0.19117 -0.35201 67 9D 0 -0.05813 -0.02906 -0.02906 0.00000 -0.01986 68 9D+1 0.27167 -0.25563 -0.27167 -0.32480 0.18855 69 9D-1 0.27167 -0.27167 -0.25563 -0.32480 0.18148 70 9D+2 0.00000 -0.05034 0.05034 0.00000 -0.03441 71 9D-2 -0.25563 0.27167 0.27167 0.32480 -0.18148 72 4 C 1S -0.02744 0.02744 -0.02744 -0.03266 -0.01608 73 2S -0.09126 0.09126 -0.09126 -0.11136 -0.06007 74 3S 0.50053 -0.50053 0.50053 0.68653 0.40502 75 4S 0.86384 -0.86384 0.86384 1.07364 0.63405 76 5S -0.05536 0.05536 -0.05536 -0.71450 -0.64503 77 6PX -0.24479 0.24479 -0.24167 -0.27894 -0.17834 78 6PY 0.24479 -0.24167 0.24479 0.27894 0.20196 79 6PZ -0.24167 0.24479 -0.24479 -0.27894 -0.17834 80 7PX -0.33004 0.33004 -0.33462 -0.84867 -0.76102 81 7PY 0.33004 -0.33462 0.33004 0.84867 0.66609 82 7PZ -0.33462 0.33004 -0.33004 -0.84867 -0.76102 83 8PX 0.04989 -0.04989 0.07585 -0.19117 -0.35201 84 8PY -0.04989 0.07585 -0.04989 0.19117 0.36219 85 8PZ 0.07585 -0.04989 0.04989 -0.19117 -0.35201 86 9D 0 0.05813 0.02906 -0.02906 0.00000 0.01986 87 9D+1 0.27167 -0.25563 0.27167 0.32480 0.18855 88 9D-1 -0.27167 0.27167 -0.25563 -0.32480 -0.18148 89 9D+2 0.00000 0.05034 0.05034 0.00000 0.03441 90 9D-2 -0.25563 0.27167 -0.27167 -0.32480 -0.18148 91 5 C 1S -0.02744 -0.02744 0.02744 -0.03266 0.01608 92 2S -0.09126 -0.09126 0.09126 -0.11136 0.06007 93 3S 0.50053 0.50053 -0.50053 0.68653 -0.40502 94 4S 0.86384 0.86384 -0.86384 1.07364 -0.63405 95 5S -0.05536 -0.05536 0.05536 -0.71450 0.64503 96 6PX 0.24479 0.24479 -0.24167 0.27894 -0.17834 97 6PY -0.24479 -0.24167 0.24479 -0.27894 0.20196 98 6PZ -0.24167 -0.24479 0.24479 -0.27894 0.17834 99 7PX 0.33004 0.33004 -0.33462 0.84867 -0.76102 100 7PY -0.33004 -0.33462 0.33004 -0.84867 0.66609 101 7PZ -0.33462 -0.33004 0.33004 -0.84867 0.76102 102 8PX -0.04989 -0.04989 0.07585 0.19117 -0.35201 103 8PY 0.04989 0.07585 -0.04989 -0.19117 0.36219 104 8PZ 0.07585 0.04989 -0.04989 -0.19117 0.35201 105 9D 0 0.05813 -0.02906 0.02906 0.00000 -0.01986 106 9D+1 -0.27167 -0.25563 0.27167 -0.32480 0.18855 107 9D-1 0.27167 0.27167 -0.25563 0.32480 -0.18148 108 9D+2 0.00000 -0.05034 -0.05034 0.00000 -0.03441 109 9D-2 -0.25563 -0.27167 0.27167 -0.32480 0.18148 110 6 O 1S 0.01040 0.01040 0.01040 -0.01559 -0.00995 111 2S 0.04276 0.04276 0.04276 -0.06282 -0.04034 112 3S -0.55808 -0.55808 -0.55808 0.80996 0.52475 113 4S 1.44092 1.44092 1.44092 -2.17140 -1.43266 114 5S 0.10224 0.10224 0.10224 -0.43207 -0.57791 115 6PX 0.09426 0.09426 0.07835 -0.14115 -0.09893 116 6PY 0.09426 0.07835 0.09426 -0.14115 -0.11192 117 6PZ 0.07835 0.09426 0.09426 -0.14115 -0.09893 118 7PX -0.59419 -0.59419 -0.54254 0.86464 0.58571 119 7PY -0.59419 -0.54254 -0.59419 0.86464 0.62883 120 7PZ -0.54254 -0.59419 -0.59419 0.86464 0.58571 121 8PX -0.01597 -0.01597 -0.05107 0.01475 -0.00444 122 8PY -0.01597 -0.05107 -0.01597 0.01475 -0.00110 123 8PZ -0.05107 -0.01597 -0.01597 0.01475 -0.00444 124 9D 0 -0.02186 0.01093 0.01093 0.00000 0.01114 125 9D+1 0.31570 0.34391 0.31570 -0.39306 -0.21938 126 9D-1 0.31570 0.31570 0.34391 -0.39306 -0.24844 127 9D+2 0.00000 0.01893 -0.01893 0.00000 0.01929 128 9D-2 0.34391 0.31570 0.31570 -0.39306 -0.24844 129 7 O 1S -0.01040 0.01040 -0.01040 -0.01559 -0.00995 130 2S -0.04276 0.04276 -0.04276 -0.06282 -0.04034 131 3S 0.55808 -0.55808 0.55808 0.80996 0.52475 132 4S -1.44092 1.44092 -1.44092 -2.17140 -1.43266 133 5S -0.10224 0.10224 -0.10224 -0.43207 -0.57791 134 6PX 0.09426 -0.09426 0.07835 0.14115 0.09893 135 6PY -0.09426 0.07835 -0.09426 -0.14115 -0.11192 136 6PZ 0.07835 -0.09426 0.09426 0.14115 0.09893 137 7PX -0.59419 0.59419 -0.54254 -0.86464 -0.58571 138 7PY 0.59419 -0.54254 0.59419 0.86464 0.62883 139 7PZ -0.54254 0.59419 -0.59419 -0.86464 -0.58571 140 8PX -0.01597 0.01597 -0.05107 -0.01475 0.00444 141 8PY 0.01597 -0.05107 0.01597 0.01475 -0.00110 142 8PZ -0.05107 0.01597 -0.01597 -0.01475 0.00444 143 9D 0 0.02186 0.01093 -0.01093 0.00000 0.01114 144 9D+1 -0.31570 0.34391 -0.31570 -0.39306 -0.21938 145 9D-1 0.31570 -0.31570 0.34391 0.39306 0.24844 146 9D+2 0.00000 0.01893 0.01893 0.00000 0.01929 147 9D-2 0.34391 -0.31570 0.31570 0.39306 0.24844 148 8 O 1S -0.01040 -0.01040 0.01040 -0.01559 0.00995 149 2S -0.04276 -0.04276 0.04276 -0.06282 0.04034 150 3S 0.55808 0.55808 -0.55808 0.80996 -0.52475 151 4S -1.44092 -1.44092 1.44092 -2.17140 1.43266 152 5S -0.10224 -0.10224 0.10224 -0.43207 0.57791 153 6PX -0.09426 -0.09426 0.07835 -0.14115 0.09893 154 6PY 0.09426 0.07835 -0.09426 0.14115 -0.11192 155 6PZ 0.07835 0.09426 -0.09426 0.14115 -0.09893 156 7PX 0.59419 0.59419 -0.54254 0.86464 -0.58571 157 7PY -0.59419 -0.54254 0.59419 -0.86464 0.62883 158 7PZ -0.54254 -0.59419 0.59419 -0.86464 0.58571 159 8PX 0.01597 0.01597 -0.05107 0.01475 0.00444 160 8PY -0.01597 -0.05107 0.01597 -0.01475 -0.00110 161 8PZ -0.05107 -0.01597 0.01597 -0.01475 -0.00444 162 9D 0 0.02186 -0.01093 0.01093 0.00000 -0.01114 163 9D+1 0.31570 0.34391 -0.31570 0.39306 -0.21938 164 9D-1 -0.31570 -0.31570 0.34391 -0.39306 0.24844 165 9D+2 0.00000 -0.01893 -0.01893 0.00000 -0.01929 166 9D-2 0.34391 0.31570 -0.31570 0.39306 -0.24844 167 9 O 1S 0.01040 -0.01040 -0.01040 -0.01559 0.00995 168 2S 0.04276 -0.04276 -0.04276 -0.06282 0.04034 169 3S -0.55808 0.55808 0.55808 0.80996 -0.52475 170 4S 1.44092 -1.44092 -1.44092 -2.17140 1.43266 171 5S 0.10224 -0.10224 -0.10224 -0.43207 0.57791 172 6PX -0.09426 0.09426 0.07835 0.14115 -0.09893 173 6PY -0.09426 0.07835 0.09426 0.14115 -0.11192 174 6PZ 0.07835 -0.09426 -0.09426 -0.14115 0.09893 175 7PX 0.59419 -0.59419 -0.54254 -0.86464 0.58571 176 7PY 0.59419 -0.54254 -0.59419 -0.86464 0.62883 177 7PZ -0.54254 0.59419 0.59419 0.86464 -0.58571 178 8PX 0.01597 -0.01597 -0.05107 -0.01475 -0.00444 179 8PY 0.01597 -0.05107 -0.01597 -0.01475 -0.00110 180 8PZ -0.05107 0.01597 0.01597 0.01475 0.00444 181 9D 0 -0.02186 -0.01093 -0.01093 0.00000 -0.01114 182 9D+1 -0.31570 0.34391 0.31570 0.39306 -0.21938 183 9D-1 -0.31570 0.31570 0.34391 0.39306 -0.24844 184 9D+2 0.00000 -0.01893 0.01893 0.00000 -0.01929 185 9D-2 0.34391 -0.31570 -0.31570 -0.39306 0.24844 176 177 178 179 180 (T2)--V (T2)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 4.52280 4.52280 21.91893 21.91893 21.91893 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 -0.01870 0.00000 0.00262 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00262 9 7PZ -0.01870 0.00000 0.00262 0.00000 0.00000 10 8PX 0.00000 0.07963 0.00000 -0.01430 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.01430 12 8PZ 0.07963 0.00000 -0.01430 0.00000 0.00000 13 9PX 0.00000 -0.20256 0.00000 0.03645 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.03645 15 9PZ -0.20256 0.00000 0.03645 0.00000 0.00000 16 10PX 0.00000 1.98269 0.00000 0.16529 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.16529 18 10PZ 1.98269 0.00000 0.16529 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.00441 21 11D-1 0.00000 0.75635 0.00000 -0.00441 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.75635 0.00000 -0.00441 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.01542 26 12D-1 0.00000 -1.27951 0.00000 0.01542 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -1.27951 0.00000 0.01542 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.08027 31 13D-1 0.00000 1.33343 0.00000 0.08027 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 1.33343 0.00000 0.08027 0.00000 0.00000 34 2 C 1S -0.01608 -0.01608 0.69521 0.69521 0.69521 35 2S -0.06007 -0.06007 -0.87571 -0.87571 -0.87571 36 3S 0.40502 0.40502 0.88584 0.88584 0.88584 37 4S 0.63405 0.63405 -0.81168 -0.81168 -0.81168 38 5S -0.64503 -0.64503 0.29835 0.29835 0.29835 39 6PX 0.17834 0.20196 0.03448 0.04238 0.03448 40 6PY 0.17834 0.17834 0.03448 0.03448 0.04238 41 6PZ 0.20196 0.17834 0.04238 0.03448 0.03448 42 7PX 0.76102 0.66609 0.15137 0.12756 0.15137 43 7PY 0.76102 0.76102 0.15137 0.15137 0.12756 44 7PZ 0.66609 0.76102 0.12756 0.15137 0.15137 45 8PX 0.35201 0.36219 -0.11189 -0.22463 -0.11189 46 8PY 0.35201 0.35201 -0.11189 -0.11189 -0.22463 47 8PZ 0.36219 0.35201 -0.22463 -0.11189 -0.11189 48 9D 0 -0.03973 0.01986 0.00469 -0.00234 -0.00234 49 9D+1 0.18148 0.18148 0.05982 0.05982 0.04706 50 9D-1 0.18148 0.18855 0.05982 0.04706 0.05982 51 9D+2 0.00000 -0.03441 0.00000 0.00406 -0.00406 52 9D-2 0.18855 0.18148 0.04706 0.05982 0.05982 53 3 C 1S -0.01608 0.01608 0.69521 -0.69521 -0.69521 54 2S -0.06007 0.06007 -0.87571 0.87571 0.87571 55 3S 0.40502 -0.40502 0.88584 -0.88584 -0.88584 56 4S 0.63405 -0.63405 -0.81168 0.81168 0.81168 57 5S -0.64503 0.64503 0.29835 -0.29835 -0.29835 58 6PX -0.17834 0.20196 -0.03448 0.04238 0.03448 59 6PY -0.17834 0.17834 -0.03448 0.03448 0.04238 60 6PZ 0.20196 -0.17834 0.04238 -0.03448 -0.03448 61 7PX -0.76102 0.66609 -0.15137 0.12756 0.15137 62 7PY -0.76102 0.76102 -0.15137 0.15137 0.12756 63 7PZ 0.66609 -0.76102 0.12756 -0.15137 -0.15137 64 8PX -0.35201 0.36219 0.11189 -0.22463 -0.11189 65 8PY -0.35201 0.35201 0.11189 -0.11189 -0.22463 66 8PZ 0.36219 -0.35201 -0.22463 0.11189 0.11189 67 9D 0 -0.03973 -0.01986 0.00469 0.00234 0.00234 68 9D+1 -0.18148 0.18148 -0.05982 0.05982 0.04706 69 9D-1 -0.18148 0.18855 -0.05982 0.04706 0.05982 70 9D+2 0.00000 0.03441 0.00000 -0.00406 0.00406 71 9D-2 0.18855 -0.18148 0.04706 -0.05982 -0.05982 72 4 C 1S 0.01608 0.01608 -0.69521 -0.69521 0.69521 73 2S 0.06007 0.06007 0.87571 0.87571 -0.87571 74 3S -0.40502 -0.40502 -0.88584 -0.88584 0.88584 75 4S -0.63405 -0.63405 0.81168 0.81168 -0.81168 76 5S 0.64503 0.64503 -0.29835 -0.29835 0.29835 77 6PX 0.17834 0.20196 0.03448 0.04238 -0.03448 78 6PY -0.17834 -0.17834 -0.03448 -0.03448 0.04238 79 6PZ 0.20196 0.17834 0.04238 0.03448 -0.03448 80 7PX 0.76102 0.66609 0.15137 0.12756 -0.15137 81 7PY -0.76102 -0.76102 -0.15137 -0.15137 0.12756 82 7PZ 0.66609 0.76102 0.12756 0.15137 -0.15137 83 8PX 0.35201 0.36219 -0.11189 -0.22463 0.11189 84 8PY -0.35201 -0.35201 0.11189 0.11189 -0.22463 85 8PZ 0.36219 0.35201 -0.22463 -0.11189 0.11189 86 9D 0 0.03973 -0.01986 -0.00469 0.00234 -0.00234 87 9D+1 -0.18148 -0.18148 -0.05982 -0.05982 0.04706 88 9D-1 0.18148 0.18855 0.05982 0.04706 -0.05982 89 9D+2 0.00000 0.03441 0.00000 -0.00406 -0.00406 90 9D-2 0.18855 0.18148 0.04706 0.05982 -0.05982 91 5 C 1S 0.01608 -0.01608 -0.69521 0.69521 -0.69521 92 2S 0.06007 -0.06007 0.87571 -0.87571 0.87571 93 3S -0.40502 0.40502 -0.88584 0.88584 -0.88584 94 4S -0.63405 0.63405 0.81168 -0.81168 0.81168 95 5S 0.64503 -0.64503 -0.29835 0.29835 -0.29835 96 6PX -0.17834 0.20196 -0.03448 0.04238 -0.03448 97 6PY 0.17834 -0.17834 0.03448 -0.03448 0.04238 98 6PZ 0.20196 -0.17834 0.04238 -0.03448 0.03448 99 7PX -0.76102 0.66609 -0.15137 0.12756 -0.15137 100 7PY 0.76102 -0.76102 0.15137 -0.15137 0.12756 101 7PZ 0.66609 -0.76102 0.12756 -0.15137 0.15137 102 8PX -0.35201 0.36219 0.11189 -0.22463 0.11189 103 8PY 0.35201 -0.35201 -0.11189 0.11189 -0.22463 104 8PZ 0.36219 -0.35201 -0.22463 0.11189 -0.11189 105 9D 0 0.03973 0.01986 -0.00469 -0.00234 0.00234 106 9D+1 0.18148 -0.18148 0.05982 -0.05982 0.04706 107 9D-1 -0.18148 0.18855 -0.05982 0.04706 -0.05982 108 9D+2 0.00000 -0.03441 0.00000 0.00406 0.00406 109 9D-2 0.18855 -0.18148 0.04706 -0.05982 0.05982 110 6 O 1S -0.00995 -0.00995 -0.00166 -0.00166 -0.00166 111 2S -0.04034 -0.04034 -0.00234 -0.00234 -0.00234 112 3S 0.52475 0.52475 0.12599 0.12599 0.12599 113 4S -1.43266 -1.43266 -0.42652 -0.42652 -0.42652 114 5S -0.57791 -0.57791 0.30441 0.30441 0.30441 115 6PX -0.09893 -0.11192 -0.00324 0.00076 -0.00324 116 6PY -0.09893 -0.09893 -0.00324 -0.00324 0.00076 117 6PZ -0.11192 -0.09893 0.00076 -0.00324 -0.00324 118 7PX 0.58571 0.62883 0.13979 0.12157 0.13979 119 7PY 0.58571 0.58571 0.13979 0.13979 0.12157 120 7PZ 0.62883 0.58571 0.12157 0.13979 0.13979 121 8PX -0.00444 -0.00110 -0.07687 -0.00893 -0.07687 122 8PY -0.00444 -0.00444 -0.07687 -0.07687 -0.00893 123 8PZ -0.00110 -0.00444 -0.00893 -0.07687 -0.07687 124 9D 0 -0.02228 0.01114 -0.00092 0.00046 0.00046 125 9D+1 -0.24844 -0.24844 -0.05879 -0.05879 -0.05761 126 9D-1 -0.24844 -0.21938 -0.05879 -0.05761 -0.05879 127 9D+2 0.00000 -0.01929 0.00000 -0.00080 0.00080 128 9D-2 -0.21938 -0.24844 -0.05761 -0.05879 -0.05879 129 7 O 1S 0.00995 0.00995 0.00166 0.00166 -0.00166 130 2S 0.04034 0.04034 0.00234 0.00234 -0.00234 131 3S -0.52475 -0.52475 -0.12599 -0.12599 0.12599 132 4S 1.43266 1.43266 0.42652 0.42652 -0.42652 133 5S 0.57791 0.57791 -0.30441 -0.30441 0.30441 134 6PX -0.09893 -0.11192 -0.00324 0.00076 0.00324 135 6PY 0.09893 0.09893 0.00324 0.00324 0.00076 136 6PZ -0.11192 -0.09893 0.00076 -0.00324 0.00324 137 7PX 0.58571 0.62883 0.13979 0.12157 -0.13979 138 7PY -0.58571 -0.58571 -0.13979 -0.13979 0.12157 139 7PZ 0.62883 0.58571 0.12157 0.13979 -0.13979 140 8PX -0.00444 -0.00110 -0.07687 -0.00893 0.07687 141 8PY 0.00444 0.00444 0.07687 0.07687 -0.00893 142 8PZ -0.00110 -0.00444 -0.00893 -0.07687 0.07687 143 9D 0 0.02228 -0.01114 0.00092 -0.00046 0.00046 144 9D+1 0.24844 0.24844 0.05879 0.05879 -0.05761 145 9D-1 -0.24844 -0.21938 -0.05879 -0.05761 0.05879 146 9D+2 0.00000 0.01929 0.00000 0.00080 0.00080 147 9D-2 -0.21938 -0.24844 -0.05761 -0.05879 0.05879 148 8 O 1S 0.00995 -0.00995 0.00166 -0.00166 0.00166 149 2S 0.04034 -0.04034 0.00234 -0.00234 0.00234 150 3S -0.52475 0.52475 -0.12599 0.12599 -0.12599 151 4S 1.43266 -1.43266 0.42652 -0.42652 0.42652 152 5S 0.57791 -0.57791 -0.30441 0.30441 -0.30441 153 6PX 0.09893 -0.11192 0.00324 0.00076 0.00324 154 6PY -0.09893 0.09893 -0.00324 0.00324 0.00076 155 6PZ -0.11192 0.09893 0.00076 0.00324 -0.00324 156 7PX -0.58571 0.62883 -0.13979 0.12157 -0.13979 157 7PY 0.58571 -0.58571 0.13979 -0.13979 0.12157 158 7PZ 0.62883 -0.58571 0.12157 -0.13979 0.13979 159 8PX 0.00444 -0.00110 0.07687 -0.00893 0.07687 160 8PY -0.00444 0.00444 -0.07687 0.07687 -0.00893 161 8PZ -0.00110 0.00444 -0.00893 0.07687 -0.07687 162 9D 0 0.02228 0.01114 0.00092 0.00046 -0.00046 163 9D+1 -0.24844 0.24844 -0.05879 0.05879 -0.05761 164 9D-1 0.24844 -0.21938 0.05879 -0.05761 0.05879 165 9D+2 0.00000 -0.01929 0.00000 -0.00080 -0.00080 166 9D-2 -0.21938 0.24844 -0.05761 0.05879 -0.05879 167 9 O 1S -0.00995 0.00995 -0.00166 0.00166 0.00166 168 2S -0.04034 0.04034 -0.00234 0.00234 0.00234 169 3S 0.52475 -0.52475 0.12599 -0.12599 -0.12599 170 4S -1.43266 1.43266 -0.42652 0.42652 0.42652 171 5S -0.57791 0.57791 0.30441 -0.30441 -0.30441 172 6PX 0.09893 -0.11192 0.00324 0.00076 -0.00324 173 6PY 0.09893 -0.09893 0.00324 -0.00324 0.00076 174 6PZ -0.11192 0.09893 0.00076 0.00324 0.00324 175 7PX -0.58571 0.62883 -0.13979 0.12157 0.13979 176 7PY -0.58571 0.58571 -0.13979 0.13979 0.12157 177 7PZ 0.62883 -0.58571 0.12157 -0.13979 -0.13979 178 8PX 0.00444 -0.00110 0.07687 -0.00893 -0.07687 179 8PY 0.00444 -0.00444 0.07687 -0.07687 -0.00893 180 8PZ -0.00110 0.00444 -0.00893 0.07687 0.07687 181 9D 0 -0.02228 -0.01114 -0.00092 -0.00046 -0.00046 182 9D+1 0.24844 -0.24844 0.05879 -0.05879 -0.05761 183 9D-1 0.24844 -0.21938 0.05879 -0.05761 -0.05879 184 9D+2 0.00000 0.01929 0.00000 0.00080 -0.00080 185 9D-2 -0.21938 0.24844 -0.05761 0.05879 0.05879 181 182 183 184 185 (A1)--V (T2)--V (T2)--V (T2)--V (A1)--V Eigenvalues -- 22.10705 43.34279 43.34279 43.34279 43.39398 1 1 Ni 1S 0.00173 0.00000 0.00000 0.00000 -0.00050 2 2S 0.00768 0.00000 0.00000 0.00000 -0.00227 3 3S 0.03583 0.00000 0.00000 0.00000 -0.01050 4 4S -0.14019 0.00000 0.00000 0.00000 0.03403 5 5S 0.50766 0.00000 0.00000 0.00000 0.09470 6 6S -0.86845 0.00000 0.00000 0.00000 -0.60250 7 7PX 0.00000 -0.00160 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.00160 0.00000 9 7PZ 0.00000 0.00000 -0.00160 0.00000 0.00000 10 8PX 0.00000 0.00682 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00682 0.00000 12 8PZ 0.00000 0.00000 0.00682 0.00000 0.00000 13 9PX 0.00000 -0.00725 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.00725 0.00000 15 9PZ 0.00000 0.00000 -0.00725 0.00000 0.00000 16 10PX 0.00000 -0.05258 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -0.05258 0.00000 18 10PZ 0.00000 0.00000 -0.05258 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.00427 0.00000 21 11D-1 0.00000 -0.00427 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 -0.00427 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.01848 0.00000 26 12D-1 0.00000 0.01848 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.01848 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -0.07498 0.00000 31 13D-1 0.00000 -0.07498 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 -0.07498 0.00000 0.00000 34 2 C 1S 0.69691 -0.00309 -0.00309 -0.00309 -0.00110 35 2S -0.88590 0.00870 0.00870 0.00870 0.00490 36 3S 0.94788 -0.08830 -0.08830 -0.08830 -0.06072 37 4S -0.83420 0.18398 0.18398 0.18398 0.07323 38 5S 0.55547 0.18872 0.18872 0.18872 0.54590 39 6PX 0.03007 -0.01716 -0.01213 -0.01213 -0.01595 40 6PY 0.03007 -0.01213 -0.01213 -0.01716 -0.01595 41 6PZ 0.03007 -0.01213 -0.01716 -0.01213 -0.01595 42 7PX 0.20414 -0.03001 -0.04813 -0.04813 -0.03313 43 7PY 0.20414 -0.04813 -0.04813 -0.03001 -0.03313 44 7PZ 0.20414 -0.04813 -0.03001 -0.04813 -0.03313 45 8PX -0.05088 0.14490 0.13686 0.13686 0.11847 46 8PY -0.05088 0.13686 0.13686 0.14490 0.11847 47 8PZ -0.05088 0.13686 0.14490 0.13686 0.11847 48 9D 0 0.00000 -0.00036 0.00071 -0.00036 0.00000 49 9D+1 0.06182 -0.00228 -0.00228 -0.00011 -0.00679 50 9D-1 0.06182 -0.00011 -0.00228 -0.00228 -0.00679 51 9D+2 0.00000 0.00062 0.00000 -0.00062 0.00000 52 9D-2 0.06182 -0.00228 -0.00011 -0.00228 -0.00679 53 3 C 1S 0.69691 0.00309 -0.00309 0.00309 -0.00110 54 2S -0.88590 -0.00870 0.00870 -0.00870 0.00490 55 3S 0.94788 0.08830 -0.08830 0.08830 -0.06072 56 4S -0.83420 -0.18398 0.18398 -0.18398 0.07323 57 5S 0.55547 -0.18872 0.18872 -0.18872 0.54590 58 6PX -0.03007 -0.01716 0.01213 -0.01213 0.01595 59 6PY -0.03007 -0.01213 0.01213 -0.01716 0.01595 60 6PZ 0.03007 0.01213 -0.01716 0.01213 -0.01595 61 7PX -0.20414 -0.03001 0.04813 -0.04813 0.03313 62 7PY -0.20414 -0.04813 0.04813 -0.03001 0.03313 63 7PZ 0.20414 0.04813 -0.03001 0.04813 -0.03313 64 8PX 0.05088 0.14490 -0.13686 0.13686 -0.11847 65 8PY 0.05088 0.13686 -0.13686 0.14490 -0.11847 66 8PZ -0.05088 -0.13686 0.14490 -0.13686 0.11847 67 9D 0 0.00000 0.00036 0.00071 0.00036 0.00000 68 9D+1 -0.06182 -0.00228 0.00228 -0.00011 0.00679 69 9D-1 -0.06182 -0.00011 0.00228 -0.00228 0.00679 70 9D+2 0.00000 -0.00062 0.00000 0.00062 0.00000 71 9D-2 0.06182 0.00228 -0.00011 0.00228 -0.00679 72 4 C 1S 0.69691 0.00309 0.00309 -0.00309 -0.00110 73 2S -0.88590 -0.00870 -0.00870 0.00870 0.00490 74 3S 0.94788 0.08830 0.08830 -0.08830 -0.06072 75 4S -0.83420 -0.18398 -0.18398 0.18398 0.07323 76 5S 0.55547 -0.18872 -0.18872 0.18872 0.54590 77 6PX -0.03007 -0.01716 -0.01213 0.01213 0.01595 78 6PY 0.03007 0.01213 0.01213 -0.01716 -0.01595 79 6PZ -0.03007 -0.01213 -0.01716 0.01213 0.01595 80 7PX -0.20414 -0.03001 -0.04813 0.04813 0.03313 81 7PY 0.20414 0.04813 0.04813 -0.03001 -0.03313 82 7PZ -0.20414 -0.04813 -0.03001 0.04813 0.03313 83 8PX 0.05088 0.14490 0.13686 -0.13686 -0.11847 84 8PY -0.05088 -0.13686 -0.13686 0.14490 0.11847 85 8PZ 0.05088 0.13686 0.14490 -0.13686 -0.11847 86 9D 0 0.00000 0.00036 -0.00071 -0.00036 0.00000 87 9D+1 0.06182 0.00228 0.00228 -0.00011 -0.00679 88 9D-1 -0.06182 -0.00011 -0.00228 0.00228 0.00679 89 9D+2 0.00000 -0.00062 0.00000 -0.00062 0.00000 90 9D-2 -0.06182 -0.00228 -0.00011 0.00228 0.00679 91 5 C 1S 0.69691 -0.00309 0.00309 0.00309 -0.00110 92 2S -0.88590 0.00870 -0.00870 -0.00870 0.00490 93 3S 0.94788 -0.08830 0.08830 0.08830 -0.06072 94 4S -0.83420 0.18398 -0.18398 -0.18398 0.07323 95 5S 0.55547 0.18872 -0.18872 -0.18872 0.54590 96 6PX 0.03007 -0.01716 0.01213 0.01213 -0.01595 97 6PY -0.03007 0.01213 -0.01213 -0.01716 0.01595 98 6PZ -0.03007 0.01213 -0.01716 -0.01213 0.01595 99 7PX 0.20414 -0.03001 0.04813 0.04813 -0.03313 100 7PY -0.20414 0.04813 -0.04813 -0.03001 0.03313 101 7PZ -0.20414 0.04813 -0.03001 -0.04813 0.03313 102 8PX -0.05088 0.14490 -0.13686 -0.13686 0.11847 103 8PY 0.05088 -0.13686 0.13686 0.14490 -0.11847 104 8PZ 0.05088 -0.13686 0.14490 0.13686 -0.11847 105 9D 0 0.00000 -0.00036 -0.00071 0.00036 0.00000 106 9D+1 -0.06182 0.00228 -0.00228 -0.00011 0.00679 107 9D-1 0.06182 -0.00011 0.00228 0.00228 -0.00679 108 9D+2 0.00000 0.00062 0.00000 0.00062 0.00000 109 9D-2 -0.06182 0.00228 -0.00011 -0.00228 0.00679 110 6 O 1S -0.00030 -0.69630 -0.69630 -0.69630 -0.69656 111 2S -0.00252 0.85373 0.85373 0.85373 0.85519 112 3S 0.11952 -0.81447 -0.81447 -0.81447 -0.82858 113 4S -0.40888 0.95624 0.95624 0.95624 1.00760 114 5S 0.04653 -0.77159 -0.77159 -0.77159 -0.87259 115 6PX -0.00555 0.00863 0.00789 0.00789 0.00819 116 6PY -0.00555 0.00789 0.00789 0.00863 0.00819 117 6PZ -0.00555 0.00789 0.00863 0.00789 0.00819 118 7PX 0.16046 -0.04233 -0.03971 -0.03971 -0.04615 119 7PY 0.16046 -0.03971 -0.03971 -0.04233 -0.04615 120 7PZ 0.16046 -0.03971 -0.04233 -0.03971 -0.04615 121 8PX -0.04214 0.06696 0.07224 0.07224 0.08559 122 8PY -0.04214 0.07224 0.07224 0.06696 0.08559 123 8PZ -0.04214 0.07224 0.06696 0.07224 0.08559 124 9D 0 0.00000 -0.00050 0.00099 -0.00050 0.00000 125 9D+1 -0.06317 0.00912 0.00912 0.00807 0.00992 126 9D-1 -0.06317 0.00807 0.00912 0.00912 0.00992 127 9D+2 0.00000 0.00086 0.00000 -0.00086 0.00000 128 9D-2 -0.06317 0.00912 0.00807 0.00912 0.00992 129 7 O 1S -0.00030 0.69630 0.69630 -0.69630 -0.69656 130 2S -0.00252 -0.85373 -0.85373 0.85373 0.85519 131 3S 0.11952 0.81447 0.81447 -0.81447 -0.82858 132 4S -0.40888 -0.95624 -0.95624 0.95624 1.00760 133 5S 0.04653 0.77159 0.77159 -0.77159 -0.87259 134 6PX 0.00555 0.00863 0.00789 -0.00789 -0.00819 135 6PY -0.00555 -0.00789 -0.00789 0.00863 0.00819 136 6PZ 0.00555 0.00789 0.00863 -0.00789 -0.00819 137 7PX -0.16046 -0.04233 -0.03971 0.03971 0.04615 138 7PY 0.16046 0.03971 0.03971 -0.04233 -0.04615 139 7PZ -0.16046 -0.03971 -0.04233 0.03971 0.04615 140 8PX 0.04214 0.06696 0.07224 -0.07224 -0.08559 141 8PY -0.04214 -0.07224 -0.07224 0.06696 0.08559 142 8PZ 0.04214 0.07224 0.06696 -0.07224 -0.08559 143 9D 0 0.00000 0.00050 -0.00099 -0.00050 0.00000 144 9D+1 -0.06317 -0.00912 -0.00912 0.00807 0.00992 145 9D-1 0.06317 0.00807 0.00912 -0.00912 -0.00992 146 9D+2 0.00000 -0.00086 0.00000 -0.00086 0.00000 147 9D-2 0.06317 0.00912 0.00807 -0.00912 -0.00992 148 8 O 1S -0.00030 -0.69630 0.69630 0.69630 -0.69656 149 2S -0.00252 0.85373 -0.85373 -0.85373 0.85519 150 3S 0.11952 -0.81447 0.81447 0.81447 -0.82858 151 4S -0.40888 0.95624 -0.95624 -0.95624 1.00760 152 5S 0.04653 -0.77159 0.77159 0.77159 -0.87259 153 6PX -0.00555 0.00863 -0.00789 -0.00789 0.00819 154 6PY 0.00555 -0.00789 0.00789 0.00863 -0.00819 155 6PZ 0.00555 -0.00789 0.00863 0.00789 -0.00819 156 7PX 0.16046 -0.04233 0.03971 0.03971 -0.04615 157 7PY -0.16046 0.03971 -0.03971 -0.04233 0.04615 158 7PZ -0.16046 0.03971 -0.04233 -0.03971 0.04615 159 8PX -0.04214 0.06696 -0.07224 -0.07224 0.08559 160 8PY 0.04214 -0.07224 0.07224 0.06696 -0.08559 161 8PZ 0.04214 -0.07224 0.06696 0.07224 -0.08559 162 9D 0 0.00000 -0.00050 -0.00099 0.00050 0.00000 163 9D+1 0.06317 -0.00912 0.00912 0.00807 -0.00992 164 9D-1 -0.06317 0.00807 -0.00912 -0.00912 0.00992 165 9D+2 0.00000 0.00086 0.00000 0.00086 0.00000 166 9D-2 0.06317 -0.00912 0.00807 0.00912 -0.00992 167 9 O 1S -0.00030 0.69630 -0.69630 0.69630 -0.69656 168 2S -0.00252 -0.85373 0.85373 -0.85373 0.85519 169 3S 0.11952 0.81447 -0.81447 0.81447 -0.82858 170 4S -0.40888 -0.95624 0.95624 -0.95624 1.00760 171 5S 0.04653 0.77159 -0.77159 0.77159 -0.87259 172 6PX 0.00555 0.00863 -0.00789 0.00789 -0.00819 173 6PY 0.00555 0.00789 -0.00789 0.00863 -0.00819 174 6PZ -0.00555 -0.00789 0.00863 -0.00789 0.00819 175 7PX -0.16046 -0.04233 0.03971 -0.03971 0.04615 176 7PY -0.16046 -0.03971 0.03971 -0.04233 0.04615 177 7PZ 0.16046 0.03971 -0.04233 0.03971 -0.04615 178 8PX 0.04214 0.06696 -0.07224 0.07224 -0.08559 179 8PY 0.04214 0.07224 -0.07224 0.06696 -0.08559 180 8PZ -0.04214 -0.07224 0.06696 -0.07224 0.08559 181 9D 0 0.00000 0.00050 0.00099 0.00050 0.00000 182 9D+1 0.06317 0.00912 -0.00912 0.00807 -0.00992 183 9D-1 0.06317 0.00807 -0.00912 0.00912 -0.00992 184 9D+2 0.00000 -0.00086 0.00000 0.00086 0.00000 185 9D-2 -0.06317 -0.00912 0.00807 -0.00912 0.00992 Density Matrix: 1 2 3 4 5 1 1 Ni 1S 2.22170 2 2S -0.75812 2.59263 3 3S 0.12190 -0.51371 0.84681 4 4S 0.13357 -0.49307 0.63232 0.47976 5 5S -0.01345 0.02406 -0.02931 -0.04278 0.19321 6 6S -0.00258 0.00451 -0.00679 -0.01009 0.04542 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00131 -0.00415 0.00995 0.00824 -0.01702 35 2S 0.00283 -0.00892 0.02117 0.01791 -0.03742 36 3S -0.00457 0.01437 -0.03305 -0.02836 0.05847 37 4S -0.00751 0.02327 -0.05275 -0.04893 0.10951 38 5S -0.00169 0.00908 -0.02359 -0.01952 0.02219 39 6PX 0.00306 -0.01004 0.02250 0.02313 -0.05322 40 6PY 0.00306 -0.01004 0.02250 0.02313 -0.05322 41 6PZ 0.00306 -0.01004 0.02250 0.02313 -0.05322 42 7PX 0.00144 -0.00588 0.01676 0.01618 -0.03412 43 7PY 0.00144 -0.00588 0.01676 0.01618 -0.03412 44 7PZ 0.00144 -0.00588 0.01676 0.01618 -0.03412 45 8PX -0.00048 -0.00034 0.00392 0.00236 0.00368 46 8PY -0.00048 -0.00034 0.00392 0.00236 0.00368 47 8PZ -0.00048 -0.00034 0.00392 0.00236 0.00368 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00017 -0.00071 0.00137 0.00137 -0.00195 50 9D-1 0.00017 -0.00071 0.00137 0.00137 -0.00195 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00017 -0.00071 0.00137 0.00137 -0.00195 53 3 C 1S 0.00131 -0.00415 0.00995 0.00824 -0.01702 54 2S 0.00283 -0.00892 0.02117 0.01791 -0.03742 55 3S -0.00457 0.01437 -0.03305 -0.02836 0.05847 56 4S -0.00751 0.02327 -0.05275 -0.04893 0.10951 57 5S -0.00169 0.00908 -0.02359 -0.01952 0.02219 58 6PX -0.00306 0.01004 -0.02250 -0.02313 0.05322 59 6PY -0.00306 0.01004 -0.02250 -0.02313 0.05322 60 6PZ 0.00306 -0.01004 0.02250 0.02313 -0.05322 61 7PX -0.00144 0.00588 -0.01676 -0.01618 0.03412 62 7PY -0.00144 0.00588 -0.01676 -0.01618 0.03412 63 7PZ 0.00144 -0.00588 0.01676 0.01618 -0.03412 64 8PX 0.00048 0.00034 -0.00392 -0.00236 -0.00368 65 8PY 0.00048 0.00034 -0.00392 -0.00236 -0.00368 66 8PZ -0.00048 -0.00034 0.00392 0.00236 0.00368 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 -0.00017 0.00071 -0.00137 -0.00137 0.00195 69 9D-1 -0.00017 0.00071 -0.00137 -0.00137 0.00195 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00017 -0.00071 0.00137 0.00137 -0.00195 72 4 C 1S 0.00131 -0.00415 0.00995 0.00824 -0.01702 73 2S 0.00283 -0.00892 0.02117 0.01791 -0.03742 74 3S -0.00457 0.01437 -0.03305 -0.02836 0.05847 75 4S -0.00751 0.02327 -0.05275 -0.04893 0.10951 76 5S -0.00169 0.00908 -0.02359 -0.01952 0.02219 77 6PX -0.00306 0.01004 -0.02250 -0.02313 0.05322 78 6PY 0.00306 -0.01004 0.02250 0.02313 -0.05322 79 6PZ -0.00306 0.01004 -0.02250 -0.02313 0.05322 80 7PX -0.00144 0.00588 -0.01676 -0.01618 0.03412 81 7PY 0.00144 -0.00588 0.01676 0.01618 -0.03412 82 7PZ -0.00144 0.00588 -0.01676 -0.01618 0.03412 83 8PX 0.00048 0.00034 -0.00392 -0.00236 -0.00368 84 8PY -0.00048 -0.00034 0.00392 0.00236 0.00368 85 8PZ 0.00048 0.00034 -0.00392 -0.00236 -0.00368 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00017 -0.00071 0.00137 0.00137 -0.00195 88 9D-1 -0.00017 0.00071 -0.00137 -0.00137 0.00195 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 -0.00017 0.00071 -0.00137 -0.00137 0.00195 91 5 C 1S 0.00131 -0.00415 0.00995 0.00824 -0.01702 92 2S 0.00283 -0.00892 0.02117 0.01791 -0.03742 93 3S -0.00457 0.01437 -0.03305 -0.02836 0.05847 94 4S -0.00751 0.02327 -0.05275 -0.04893 0.10951 95 5S -0.00169 0.00908 -0.02359 -0.01952 0.02219 96 6PX 0.00306 -0.01004 0.02250 0.02313 -0.05322 97 6PY -0.00306 0.01004 -0.02250 -0.02313 0.05322 98 6PZ -0.00306 0.01004 -0.02250 -0.02313 0.05322 99 7PX 0.00144 -0.00588 0.01676 0.01618 -0.03412 100 7PY -0.00144 0.00588 -0.01676 -0.01618 0.03412 101 7PZ -0.00144 0.00588 -0.01676 -0.01618 0.03412 102 8PX -0.00048 -0.00034 0.00392 0.00236 0.00368 103 8PY 0.00048 0.00034 -0.00392 -0.00236 -0.00368 104 8PZ 0.00048 0.00034 -0.00392 -0.00236 -0.00368 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 -0.00017 0.00071 -0.00137 -0.00137 0.00195 107 9D-1 0.00017 -0.00071 0.00137 0.00137 -0.00195 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 -0.00017 0.00071 -0.00137 -0.00137 0.00195 110 6 O 1S -0.00021 0.00074 -0.00148 -0.00187 0.00256 111 2S -0.00051 0.00175 -0.00366 -0.00435 0.00654 112 3S 0.00088 -0.00313 0.00730 0.00761 -0.01342 113 4S 0.00102 -0.00254 0.00391 0.00434 -0.00734 114 5S 0.00200 -0.00422 0.00374 0.00313 -0.00814 115 6PX -0.00113 0.00393 -0.00844 -0.01081 0.02855 116 6PY -0.00113 0.00393 -0.00844 -0.01081 0.02855 117 6PZ -0.00113 0.00393 -0.00844 -0.01081 0.02855 118 7PX -0.00103 0.00291 -0.00481 -0.00679 0.02026 119 7PY -0.00103 0.00291 -0.00481 -0.00679 0.02026 120 7PZ -0.00103 0.00291 -0.00481 -0.00679 0.02026 121 8PX -0.00053 0.00193 -0.00406 -0.00440 0.00983 122 8PY -0.00053 0.00193 -0.00406 -0.00440 0.00983 123 8PZ -0.00053 0.00193 -0.00406 -0.00440 0.00983 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00007 -0.00017 0.00021 0.00044 -0.00161 126 9D-1 0.00007 -0.00017 0.00021 0.00044 -0.00161 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00007 -0.00017 0.00021 0.00044 -0.00161 129 7 O 1S -0.00021 0.00074 -0.00148 -0.00187 0.00256 130 2S -0.00051 0.00175 -0.00366 -0.00435 0.00654 131 3S 0.00088 -0.00313 0.00730 0.00761 -0.01342 132 4S 0.00102 -0.00254 0.00391 0.00434 -0.00734 133 5S 0.00200 -0.00422 0.00374 0.00313 -0.00814 134 6PX 0.00113 -0.00393 0.00844 0.01081 -0.02855 135 6PY -0.00113 0.00393 -0.00844 -0.01081 0.02855 136 6PZ 0.00113 -0.00393 0.00844 0.01081 -0.02855 137 7PX 0.00103 -0.00291 0.00481 0.00679 -0.02026 138 7PY -0.00103 0.00291 -0.00481 -0.00679 0.02026 139 7PZ 0.00103 -0.00291 0.00481 0.00679 -0.02026 140 8PX 0.00053 -0.00193 0.00406 0.00440 -0.00983 141 8PY -0.00053 0.00193 -0.00406 -0.00440 0.00983 142 8PZ 0.00053 -0.00193 0.00406 0.00440 -0.00983 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00007 -0.00017 0.00021 0.00044 -0.00161 145 9D-1 -0.00007 0.00017 -0.00021 -0.00044 0.00161 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 -0.00007 0.00017 -0.00021 -0.00044 0.00161 148 8 O 1S -0.00021 0.00074 -0.00148 -0.00187 0.00256 149 2S -0.00051 0.00175 -0.00366 -0.00435 0.00654 150 3S 0.00088 -0.00313 0.00730 0.00761 -0.01342 151 4S 0.00102 -0.00254 0.00391 0.00434 -0.00734 152 5S 0.00200 -0.00422 0.00374 0.00313 -0.00814 153 6PX -0.00113 0.00393 -0.00844 -0.01081 0.02855 154 6PY 0.00113 -0.00393 0.00844 0.01081 -0.02855 155 6PZ 0.00113 -0.00393 0.00844 0.01081 -0.02855 156 7PX -0.00103 0.00291 -0.00481 -0.00679 0.02026 157 7PY 0.00103 -0.00291 0.00481 0.00679 -0.02026 158 7PZ 0.00103 -0.00291 0.00481 0.00679 -0.02026 159 8PX -0.00053 0.00193 -0.00406 -0.00440 0.00983 160 8PY 0.00053 -0.00193 0.00406 0.00440 -0.00983 161 8PZ 0.00053 -0.00193 0.00406 0.00440 -0.00983 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00007 0.00017 -0.00021 -0.00044 0.00161 164 9D-1 0.00007 -0.00017 0.00021 0.00044 -0.00161 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00007 0.00017 -0.00021 -0.00044 0.00161 167 9 O 1S -0.00021 0.00074 -0.00148 -0.00187 0.00256 168 2S -0.00051 0.00175 -0.00366 -0.00435 0.00654 169 3S 0.00088 -0.00313 0.00730 0.00761 -0.01342 170 4S 0.00102 -0.00254 0.00391 0.00434 -0.00734 171 5S 0.00200 -0.00422 0.00374 0.00313 -0.00814 172 6PX 0.00113 -0.00393 0.00844 0.01081 -0.02855 173 6PY 0.00113 -0.00393 0.00844 0.01081 -0.02855 174 6PZ -0.00113 0.00393 -0.00844 -0.01081 0.02855 175 7PX 0.00103 -0.00291 0.00481 0.00679 -0.02026 176 7PY 0.00103 -0.00291 0.00481 0.00679 -0.02026 177 7PZ -0.00103 0.00291 -0.00481 -0.00679 0.02026 178 8PX 0.00053 -0.00193 0.00406 0.00440 -0.00983 179 8PY 0.00053 -0.00193 0.00406 0.00440 -0.00983 180 8PZ -0.00053 0.00193 -0.00406 -0.00440 0.00983 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 -0.00007 0.00017 -0.00021 -0.00044 0.00161 183 9D-1 -0.00007 0.00017 -0.00021 -0.00044 0.00161 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00007 -0.00017 0.00021 0.00044 -0.00161 6 7 8 9 10 6 6S 0.01142 7 7PX 0.00000 2.25877 8 7PY 0.00000 0.00000 2.25877 9 7PZ 0.00000 0.00000 0.00000 2.25877 10 8PX 0.00000 -0.63009 0.00000 0.00000 1.56609 11 8PY 0.00000 0.00000 -0.63009 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.63009 0.00000 13 9PX 0.00000 -0.21282 0.00000 0.00000 0.45696 14 9PY 0.00000 0.00000 -0.21282 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.21282 0.00000 16 10PX 0.00000 0.01406 0.00000 0.00000 -0.02231 17 10PY 0.00000 0.00000 0.01406 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.01406 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.01486 0.00000 0.00000 21 11D-1 0.00000 -0.01486 0.00000 0.00000 0.04082 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.01486 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.00900 0.00000 0.00000 26 12D-1 0.00000 -0.00900 0.00000 0.00000 0.02400 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.00900 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 -0.00524 0.00000 0.00000 31 13D-1 0.00000 -0.00524 0.00000 0.00000 0.01572 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.00524 0.00000 34 2 C 1S -0.00889 -0.00360 -0.00360 -0.00360 0.00991 35 2S -0.01439 -0.00768 -0.00768 -0.00768 0.02137 36 3S 0.00970 0.01216 0.01216 0.01216 -0.03450 37 4S 0.02316 0.02203 0.02203 0.02203 -0.06040 38 5S 0.00476 0.01225 0.01225 0.01225 -0.03889 39 6PX -0.01385 -0.00437 -0.00952 -0.00952 0.01263 40 6PY -0.01385 -0.00952 -0.00437 -0.00952 0.02676 41 6PZ -0.01385 -0.00952 -0.00952 -0.00437 0.02676 42 7PX -0.00856 -0.00169 -0.00612 -0.00612 0.00355 43 7PY -0.00856 -0.00612 -0.00169 -0.00612 0.01689 44 7PZ -0.00856 -0.00612 -0.00612 -0.00169 0.01689 45 8PX 0.00102 0.00397 -0.00105 -0.00105 -0.00846 46 8PY 0.00102 -0.00105 0.00397 -0.00105 0.00662 47 8PZ 0.00102 -0.00105 -0.00105 0.00397 0.00662 48 9D 0 0.00000 0.00004 0.00004 -0.00009 -0.00030 49 9D+1 -0.00067 -0.00083 -0.00076 -0.00083 0.00249 50 9D-1 -0.00067 -0.00076 -0.00083 -0.00083 0.00207 51 9D+2 0.00000 -0.00007 0.00007 0.00000 0.00053 52 9D-2 -0.00067 -0.00083 -0.00083 -0.00076 0.00249 53 3 C 1S -0.00889 0.00360 0.00360 -0.00360 -0.00991 54 2S -0.01439 0.00768 0.00768 -0.00768 -0.02137 55 3S 0.00970 -0.01216 -0.01216 0.01216 0.03450 56 4S 0.02316 -0.02203 -0.02203 0.02203 0.06040 57 5S 0.00476 -0.01225 -0.01225 0.01225 0.03889 58 6PX 0.01385 -0.00437 -0.00952 0.00952 0.01263 59 6PY 0.01385 -0.00952 -0.00437 0.00952 0.02676 60 6PZ -0.01385 0.00952 0.00952 -0.00437 -0.02676 61 7PX 0.00856 -0.00169 -0.00612 0.00612 0.00355 62 7PY 0.00856 -0.00612 -0.00169 0.00612 0.01689 63 7PZ -0.00856 0.00612 0.00612 -0.00169 -0.01689 64 8PX -0.00102 0.00397 -0.00105 0.00105 -0.00846 65 8PY -0.00102 -0.00105 0.00397 0.00105 0.00662 66 8PZ 0.00102 0.00105 0.00105 0.00397 -0.00662 67 9D 0 0.00000 -0.00004 -0.00004 -0.00009 0.00030 68 9D+1 0.00067 -0.00083 -0.00076 0.00083 0.00249 69 9D-1 0.00067 -0.00076 -0.00083 0.00083 0.00207 70 9D+2 0.00000 0.00007 -0.00007 0.00000 -0.00053 71 9D-2 -0.00067 0.00083 0.00083 -0.00076 -0.00249 72 4 C 1S -0.00889 0.00360 -0.00360 0.00360 -0.00991 73 2S -0.01439 0.00768 -0.00768 0.00768 -0.02137 74 3S 0.00970 -0.01216 0.01216 -0.01216 0.03450 75 4S 0.02316 -0.02203 0.02203 -0.02203 0.06040 76 5S 0.00476 -0.01225 0.01225 -0.01225 0.03889 77 6PX 0.01385 -0.00437 0.00952 -0.00952 0.01263 78 6PY -0.01385 0.00952 -0.00437 0.00952 -0.02676 79 6PZ 0.01385 -0.00952 0.00952 -0.00437 0.02676 80 7PX 0.00856 -0.00169 0.00612 -0.00612 0.00355 81 7PY -0.00856 0.00612 -0.00169 0.00612 -0.01689 82 7PZ 0.00856 -0.00612 0.00612 -0.00169 0.01689 83 8PX -0.00102 0.00397 0.00105 -0.00105 -0.00846 84 8PY 0.00102 0.00105 0.00397 0.00105 -0.00662 85 8PZ -0.00102 -0.00105 0.00105 0.00397 0.00662 86 9D 0 0.00000 -0.00004 0.00004 0.00009 0.00030 87 9D+1 -0.00067 0.00083 -0.00076 0.00083 -0.00249 88 9D-1 0.00067 -0.00076 0.00083 -0.00083 0.00207 89 9D+2 0.00000 0.00007 0.00007 0.00000 -0.00053 90 9D-2 0.00067 -0.00083 0.00083 -0.00076 0.00249 91 5 C 1S -0.00889 -0.00360 0.00360 0.00360 0.00991 92 2S -0.01439 -0.00768 0.00768 0.00768 0.02137 93 3S 0.00970 0.01216 -0.01216 -0.01216 -0.03450 94 4S 0.02316 0.02203 -0.02203 -0.02203 -0.06040 95 5S 0.00476 0.01225 -0.01225 -0.01225 -0.03889 96 6PX -0.01385 -0.00437 0.00952 0.00952 0.01263 97 6PY 0.01385 0.00952 -0.00437 -0.00952 -0.02676 98 6PZ 0.01385 0.00952 -0.00952 -0.00437 -0.02676 99 7PX -0.00856 -0.00169 0.00612 0.00612 0.00355 100 7PY 0.00856 0.00612 -0.00169 -0.00612 -0.01689 101 7PZ 0.00856 0.00612 -0.00612 -0.00169 -0.01689 102 8PX 0.00102 0.00397 0.00105 0.00105 -0.00846 103 8PY -0.00102 0.00105 0.00397 -0.00105 -0.00662 104 8PZ -0.00102 0.00105 -0.00105 0.00397 -0.00662 105 9D 0 0.00000 0.00004 -0.00004 0.00009 -0.00030 106 9D+1 0.00067 0.00083 -0.00076 -0.00083 -0.00249 107 9D-1 -0.00067 -0.00076 0.00083 0.00083 0.00207 108 9D+2 0.00000 -0.00007 -0.00007 0.00000 0.00053 109 9D-2 0.00067 0.00083 -0.00083 -0.00076 -0.00249 110 6 O 1S 0.00337 0.00074 0.00074 0.00074 -0.00204 111 2S 0.00536 0.00181 0.00181 0.00181 -0.00488 112 3S -0.00200 -0.00328 -0.00328 -0.00328 0.00859 113 4S 0.00033 -0.00327 -0.00327 -0.00327 0.00953 114 5S 0.00065 -0.00647 -0.00647 -0.00647 0.01634 115 6PX 0.00979 0.00199 0.00395 0.00395 -0.00542 116 6PY 0.00979 0.00395 0.00199 0.00395 -0.01082 117 6PZ 0.00979 0.00395 0.00395 0.00199 -0.01082 118 7PX 0.00686 0.00131 0.00310 0.00310 -0.00377 119 7PY 0.00686 0.00310 0.00131 0.00310 -0.00830 120 7PZ 0.00686 0.00310 0.00310 0.00131 -0.00830 121 8PX 0.00319 -0.00048 0.00300 0.00300 0.00143 122 8PY 0.00319 0.00300 -0.00048 0.00300 -0.00940 123 8PZ 0.00319 0.00300 0.00300 -0.00048 -0.00940 124 9D 0 0.00000 0.00005 0.00005 -0.00010 -0.00013 125 9D+1 -0.00056 -0.00015 -0.00006 -0.00015 0.00038 126 9D-1 -0.00056 -0.00006 -0.00015 -0.00015 0.00016 127 9D+2 0.00000 -0.00009 0.00009 0.00000 0.00023 128 9D-2 -0.00056 -0.00015 -0.00015 -0.00006 0.00038 129 7 O 1S 0.00337 -0.00074 0.00074 -0.00074 0.00204 130 2S 0.00536 -0.00181 0.00181 -0.00181 0.00488 131 3S -0.00200 0.00328 -0.00328 0.00328 -0.00859 132 4S 0.00033 0.00327 -0.00327 0.00327 -0.00953 133 5S 0.00065 0.00647 -0.00647 0.00647 -0.01634 134 6PX -0.00979 0.00199 -0.00395 0.00395 -0.00542 135 6PY 0.00979 -0.00395 0.00199 -0.00395 0.01082 136 6PZ -0.00979 0.00395 -0.00395 0.00199 -0.01082 137 7PX -0.00686 0.00131 -0.00310 0.00310 -0.00377 138 7PY 0.00686 -0.00310 0.00131 -0.00310 0.00830 139 7PZ -0.00686 0.00310 -0.00310 0.00131 -0.00830 140 8PX -0.00319 -0.00048 -0.00300 0.00300 0.00143 141 8PY 0.00319 -0.00300 -0.00048 -0.00300 0.00940 142 8PZ -0.00319 0.00300 -0.00300 -0.00048 -0.00940 143 9D 0 0.00000 -0.00005 0.00005 0.00010 0.00013 144 9D+1 -0.00056 0.00015 -0.00006 0.00015 -0.00038 145 9D-1 0.00056 -0.00006 0.00015 -0.00015 0.00016 146 9D+2 0.00000 0.00009 0.00009 0.00000 -0.00023 147 9D-2 0.00056 -0.00015 0.00015 -0.00006 0.00038 148 8 O 1S 0.00337 0.00074 -0.00074 -0.00074 -0.00204 149 2S 0.00536 0.00181 -0.00181 -0.00181 -0.00488 150 3S -0.00200 -0.00328 0.00328 0.00328 0.00859 151 4S 0.00033 -0.00327 0.00327 0.00327 0.00953 152 5S 0.00065 -0.00647 0.00647 0.00647 0.01634 153 6PX 0.00979 0.00199 -0.00395 -0.00395 -0.00542 154 6PY -0.00979 -0.00395 0.00199 0.00395 0.01082 155 6PZ -0.00979 -0.00395 0.00395 0.00199 0.01082 156 7PX 0.00686 0.00131 -0.00310 -0.00310 -0.00377 157 7PY -0.00686 -0.00310 0.00131 0.00310 0.00830 158 7PZ -0.00686 -0.00310 0.00310 0.00131 0.00830 159 8PX 0.00319 -0.00048 -0.00300 -0.00300 0.00143 160 8PY -0.00319 -0.00300 -0.00048 0.00300 0.00940 161 8PZ -0.00319 -0.00300 0.00300 -0.00048 0.00940 162 9D 0 0.00000 0.00005 -0.00005 0.00010 -0.00013 163 9D+1 0.00056 0.00015 -0.00006 -0.00015 -0.00038 164 9D-1 -0.00056 -0.00006 0.00015 0.00015 0.00016 165 9D+2 0.00000 -0.00009 -0.00009 0.00000 0.00023 166 9D-2 0.00056 0.00015 -0.00015 -0.00006 -0.00038 167 9 O 1S 0.00337 -0.00074 -0.00074 0.00074 0.00204 168 2S 0.00536 -0.00181 -0.00181 0.00181 0.00488 169 3S -0.00200 0.00328 0.00328 -0.00328 -0.00859 170 4S 0.00033 0.00327 0.00327 -0.00327 -0.00953 171 5S 0.00065 0.00647 0.00647 -0.00647 -0.01634 172 6PX -0.00979 0.00199 0.00395 -0.00395 -0.00542 173 6PY -0.00979 0.00395 0.00199 -0.00395 -0.01082 174 6PZ 0.00979 -0.00395 -0.00395 0.00199 0.01082 175 7PX -0.00686 0.00131 0.00310 -0.00310 -0.00377 176 7PY -0.00686 0.00310 0.00131 -0.00310 -0.00830 177 7PZ 0.00686 -0.00310 -0.00310 0.00131 0.00830 178 8PX -0.00319 -0.00048 0.00300 -0.00300 0.00143 179 8PY -0.00319 0.00300 -0.00048 -0.00300 -0.00940 180 8PZ 0.00319 -0.00300 -0.00300 -0.00048 0.00940 181 9D 0 0.00000 -0.00005 -0.00005 -0.00010 0.00013 182 9D+1 0.00056 -0.00015 -0.00006 0.00015 0.00038 183 9D-1 0.00056 -0.00006 -0.00015 0.00015 0.00016 184 9D+2 0.00000 0.00009 -0.00009 0.00000 -0.00023 185 9D-2 -0.00056 0.00015 0.00015 -0.00006 -0.00038 11 12 13 14 15 11 8PY 1.56609 12 8PZ 0.00000 1.56609 13 9PX 0.00000 0.00000 0.13512 14 9PY 0.45696 0.00000 0.00000 0.13512 15 9PZ 0.00000 0.45696 0.00000 0.00000 0.13512 16 10PX 0.00000 0.00000 0.00200 0.00000 0.00000 17 10PY -0.02231 0.00000 0.00000 0.00200 0.00000 18 10PZ 0.00000 -0.02231 0.00000 0.00000 0.00200 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.04082 0.00000 0.00000 0.01201 0.00000 21 11D-1 0.00000 0.00000 0.01201 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.04082 0.00000 0.00000 0.01201 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.02400 0.00000 0.00000 0.00733 0.00000 26 12D-1 0.00000 0.00000 0.00733 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.02400 0.00000 0.00000 0.00733 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.01572 0.00000 0.00000 0.00525 0.00000 31 13D-1 0.00000 0.00000 0.00525 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.01572 0.00000 0.00000 0.00525 34 2 C 1S 0.00991 0.00991 0.00086 0.00086 0.00086 35 2S 0.02137 0.02137 0.00172 0.00172 0.00172 36 3S -0.03450 -0.03450 -0.00241 -0.00241 -0.00241 37 4S -0.06040 -0.06040 -0.00585 -0.00585 -0.00585 38 5S -0.03889 -0.03889 -0.00627 -0.00627 -0.00627 39 6PX 0.02676 0.02676 0.00167 0.00287 0.00287 40 6PY 0.01263 0.02676 0.00287 0.00167 0.00287 41 6PZ 0.02676 0.01263 0.00287 0.00287 0.00167 42 7PX 0.01689 0.01689 0.00008 0.00157 0.00157 43 7PY 0.00355 0.01689 0.00157 0.00008 0.00157 44 7PZ 0.01689 0.00355 0.00157 0.00157 0.00008 45 8PX 0.00662 0.00662 -0.00127 0.00162 0.00162 46 8PY -0.00846 0.00662 0.00162 -0.00127 0.00162 47 8PZ 0.00662 -0.00846 0.00162 0.00162 -0.00127 48 9D 0 -0.00030 0.00061 -0.00009 -0.00009 0.00019 49 9D+1 0.00207 0.00249 0.00058 0.00048 0.00058 50 9D-1 0.00249 0.00249 0.00048 0.00058 0.00058 51 9D+2 -0.00053 0.00000 0.00016 -0.00016 0.00000 52 9D-2 0.00249 0.00207 0.00058 0.00058 0.00048 53 3 C 1S -0.00991 0.00991 -0.00086 -0.00086 0.00086 54 2S -0.02137 0.02137 -0.00172 -0.00172 0.00172 55 3S 0.03450 -0.03450 0.00241 0.00241 -0.00241 56 4S 0.06040 -0.06040 0.00585 0.00585 -0.00585 57 5S 0.03889 -0.03889 0.00627 0.00627 -0.00627 58 6PX 0.02676 -0.02676 0.00167 0.00287 -0.00287 59 6PY 0.01263 -0.02676 0.00287 0.00167 -0.00287 60 6PZ -0.02676 0.01263 -0.00287 -0.00287 0.00167 61 7PX 0.01689 -0.01689 0.00008 0.00157 -0.00157 62 7PY 0.00355 -0.01689 0.00157 0.00008 -0.00157 63 7PZ -0.01689 0.00355 -0.00157 -0.00157 0.00008 64 8PX 0.00662 -0.00662 -0.00127 0.00162 -0.00162 65 8PY -0.00846 -0.00662 0.00162 -0.00127 -0.00162 66 8PZ -0.00662 -0.00846 -0.00162 -0.00162 -0.00127 67 9D 0 0.00030 0.00061 0.00009 0.00009 0.00019 68 9D+1 0.00207 -0.00249 0.00058 0.00048 -0.00058 69 9D-1 0.00249 -0.00249 0.00048 0.00058 -0.00058 70 9D+2 0.00053 0.00000 -0.00016 0.00016 0.00000 71 9D-2 -0.00249 0.00207 -0.00058 -0.00058 0.00048 72 4 C 1S 0.00991 -0.00991 -0.00086 0.00086 -0.00086 73 2S 0.02137 -0.02137 -0.00172 0.00172 -0.00172 74 3S -0.03450 0.03450 0.00241 -0.00241 0.00241 75 4S -0.06040 0.06040 0.00585 -0.00585 0.00585 76 5S -0.03889 0.03889 0.00627 -0.00627 0.00627 77 6PX -0.02676 0.02676 0.00167 -0.00287 0.00287 78 6PY 0.01263 -0.02676 -0.00287 0.00167 -0.00287 79 6PZ -0.02676 0.01263 0.00287 -0.00287 0.00167 80 7PX -0.01689 0.01689 0.00008 -0.00157 0.00157 81 7PY 0.00355 -0.01689 -0.00157 0.00008 -0.00157 82 7PZ -0.01689 0.00355 0.00157 -0.00157 0.00008 83 8PX -0.00662 0.00662 -0.00127 -0.00162 0.00162 84 8PY -0.00846 -0.00662 -0.00162 -0.00127 -0.00162 85 8PZ -0.00662 -0.00846 0.00162 -0.00162 -0.00127 86 9D 0 -0.00030 -0.00061 0.00009 -0.00009 -0.00019 87 9D+1 0.00207 -0.00249 -0.00058 0.00048 -0.00058 88 9D-1 -0.00249 0.00249 0.00048 -0.00058 0.00058 89 9D+2 -0.00053 0.00000 -0.00016 -0.00016 0.00000 90 9D-2 -0.00249 0.00207 0.00058 -0.00058 0.00048 91 5 C 1S -0.00991 -0.00991 0.00086 -0.00086 -0.00086 92 2S -0.02137 -0.02137 0.00172 -0.00172 -0.00172 93 3S 0.03450 0.03450 -0.00241 0.00241 0.00241 94 4S 0.06040 0.06040 -0.00585 0.00585 0.00585 95 5S 0.03889 0.03889 -0.00627 0.00627 0.00627 96 6PX -0.02676 -0.02676 0.00167 -0.00287 -0.00287 97 6PY 0.01263 0.02676 -0.00287 0.00167 0.00287 98 6PZ 0.02676 0.01263 -0.00287 0.00287 0.00167 99 7PX -0.01689 -0.01689 0.00008 -0.00157 -0.00157 100 7PY 0.00355 0.01689 -0.00157 0.00008 0.00157 101 7PZ 0.01689 0.00355 -0.00157 0.00157 0.00008 102 8PX -0.00662 -0.00662 -0.00127 -0.00162 -0.00162 103 8PY -0.00846 0.00662 -0.00162 -0.00127 0.00162 104 8PZ 0.00662 -0.00846 -0.00162 0.00162 -0.00127 105 9D 0 0.00030 -0.00061 -0.00009 0.00009 -0.00019 106 9D+1 0.00207 0.00249 -0.00058 0.00048 0.00058 107 9D-1 -0.00249 -0.00249 0.00048 -0.00058 -0.00058 108 9D+2 0.00053 0.00000 0.00016 0.00016 0.00000 109 9D-2 0.00249 0.00207 -0.00058 0.00058 0.00048 110 6 O 1S -0.00204 -0.00204 -0.00027 -0.00027 -0.00027 111 2S -0.00488 -0.00488 -0.00066 -0.00066 -0.00066 112 3S 0.00859 0.00859 0.00115 0.00115 0.00115 113 4S 0.00953 0.00953 0.00128 0.00128 0.00128 114 5S 0.01634 0.01634 0.00194 0.00194 0.00194 115 6PX -0.01082 -0.01082 0.00032 -0.00269 -0.00269 116 6PY -0.00542 -0.01082 -0.00269 0.00032 -0.00269 117 6PZ -0.01082 -0.00542 -0.00269 -0.00269 0.00032 118 7PX -0.00830 -0.00830 0.00042 -0.00205 -0.00205 119 7PY -0.00377 -0.00830 -0.00205 0.00042 -0.00205 120 7PZ -0.00830 -0.00377 -0.00205 -0.00205 0.00042 121 8PX -0.00940 -0.00940 0.00099 -0.00207 -0.00207 122 8PY 0.00143 -0.00940 -0.00207 0.00099 -0.00207 123 8PZ -0.00940 0.00143 -0.00207 -0.00207 0.00099 124 9D 0 -0.00013 0.00026 0.00003 0.00003 -0.00007 125 9D+1 0.00016 0.00038 0.00004 0.00010 0.00004 126 9D-1 0.00038 0.00038 0.00010 0.00004 0.00004 127 9D+2 -0.00023 0.00000 -0.00006 0.00006 0.00000 128 9D-2 0.00038 0.00016 0.00004 0.00004 0.00010 129 7 O 1S -0.00204 0.00204 0.00027 -0.00027 0.00027 130 2S -0.00488 0.00488 0.00066 -0.00066 0.00066 131 3S 0.00859 -0.00859 -0.00115 0.00115 -0.00115 132 4S 0.00953 -0.00953 -0.00128 0.00128 -0.00128 133 5S 0.01634 -0.01634 -0.00194 0.00194 -0.00194 134 6PX 0.01082 -0.01082 0.00032 0.00269 -0.00269 135 6PY -0.00542 0.01082 0.00269 0.00032 0.00269 136 6PZ 0.01082 -0.00542 -0.00269 0.00269 0.00032 137 7PX 0.00830 -0.00830 0.00042 0.00205 -0.00205 138 7PY -0.00377 0.00830 0.00205 0.00042 0.00205 139 7PZ 0.00830 -0.00377 -0.00205 0.00205 0.00042 140 8PX 0.00940 -0.00940 0.00099 0.00207 -0.00207 141 8PY 0.00143 0.00940 0.00207 0.00099 0.00207 142 8PZ 0.00940 0.00143 -0.00207 0.00207 0.00099 143 9D 0 -0.00013 -0.00026 -0.00003 0.00003 0.00007 144 9D+1 0.00016 -0.00038 -0.00004 0.00010 -0.00004 145 9D-1 -0.00038 0.00038 0.00010 -0.00004 0.00004 146 9D+2 -0.00023 0.00000 0.00006 0.00006 0.00000 147 9D-2 -0.00038 0.00016 0.00004 -0.00004 0.00010 148 8 O 1S 0.00204 0.00204 -0.00027 0.00027 0.00027 149 2S 0.00488 0.00488 -0.00066 0.00066 0.00066 150 3S -0.00859 -0.00859 0.00115 -0.00115 -0.00115 151 4S -0.00953 -0.00953 0.00128 -0.00128 -0.00128 152 5S -0.01634 -0.01634 0.00194 -0.00194 -0.00194 153 6PX 0.01082 0.01082 0.00032 0.00269 0.00269 154 6PY -0.00542 -0.01082 0.00269 0.00032 -0.00269 155 6PZ -0.01082 -0.00542 0.00269 -0.00269 0.00032 156 7PX 0.00830 0.00830 0.00042 0.00205 0.00205 157 7PY -0.00377 -0.00830 0.00205 0.00042 -0.00205 158 7PZ -0.00830 -0.00377 0.00205 -0.00205 0.00042 159 8PX 0.00940 0.00940 0.00099 0.00207 0.00207 160 8PY 0.00143 -0.00940 0.00207 0.00099 -0.00207 161 8PZ -0.00940 0.00143 0.00207 -0.00207 0.00099 162 9D 0 0.00013 -0.00026 0.00003 -0.00003 0.00007 163 9D+1 0.00016 0.00038 -0.00004 0.00010 0.00004 164 9D-1 -0.00038 -0.00038 0.00010 -0.00004 -0.00004 165 9D+2 0.00023 0.00000 -0.00006 -0.00006 0.00000 166 9D-2 0.00038 0.00016 -0.00004 0.00004 0.00010 167 9 O 1S 0.00204 -0.00204 0.00027 0.00027 -0.00027 168 2S 0.00488 -0.00488 0.00066 0.00066 -0.00066 169 3S -0.00859 0.00859 -0.00115 -0.00115 0.00115 170 4S -0.00953 0.00953 -0.00128 -0.00128 0.00128 171 5S -0.01634 0.01634 -0.00194 -0.00194 0.00194 172 6PX -0.01082 0.01082 0.00032 -0.00269 0.00269 173 6PY -0.00542 0.01082 -0.00269 0.00032 0.00269 174 6PZ 0.01082 -0.00542 0.00269 0.00269 0.00032 175 7PX -0.00830 0.00830 0.00042 -0.00205 0.00205 176 7PY -0.00377 0.00830 -0.00205 0.00042 0.00205 177 7PZ 0.00830 -0.00377 0.00205 0.00205 0.00042 178 8PX -0.00940 0.00940 0.00099 -0.00207 0.00207 179 8PY 0.00143 0.00940 -0.00207 0.00099 0.00207 180 8PZ 0.00940 0.00143 0.00207 0.00207 0.00099 181 9D 0 0.00013 0.00026 -0.00003 -0.00003 -0.00007 182 9D+1 0.00016 -0.00038 0.00004 0.00010 -0.00004 183 9D-1 0.00038 -0.00038 0.00010 0.00004 -0.00004 184 9D+2 0.00023 0.00000 0.00006 -0.00006 0.00000 185 9D-2 -0.00038 0.00016 -0.00004 -0.00004 0.00010 16 17 18 19 20 16 10PX 0.09769 17 10PY 0.00000 0.09769 18 10PZ 0.00000 0.00000 0.09769 19 11D 0 0.00000 0.00000 0.00000 0.63379 20 11D+1 0.00000 -0.13816 0.00000 0.00000 0.61130 21 11D-1 -0.13816 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 -0.13816 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.38927 0.00000 25 12D+1 0.00000 -0.08424 0.00000 0.00000 0.37908 26 12D-1 -0.08424 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.08424 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.31127 0.00000 30 13D+1 0.00000 -0.05896 0.00000 0.00000 0.28898 31 13D-1 -0.05896 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 -0.05896 0.00000 0.00000 34 2 C 1S -0.01053 -0.01053 -0.01053 0.00000 -0.00294 35 2S -0.02284 -0.02284 -0.02284 0.00000 -0.00613 36 3S 0.03514 0.03514 0.03514 0.00000 0.01216 37 4S 0.07079 0.07079 0.07079 0.00000 0.00546 38 5S 0.04366 0.04366 0.04366 0.00000 -0.03240 39 6PX -0.02165 -0.04010 -0.04010 -0.02080 0.01119 40 6PY -0.04010 -0.02165 -0.04010 -0.02080 -0.05231 41 6PZ -0.04010 -0.04010 -0.02165 0.04160 0.01119 42 7PX -0.00593 -0.02446 -0.02446 -0.02292 0.01203 43 7PY -0.02446 -0.00593 -0.02446 -0.02292 -0.05021 44 7PZ -0.02446 -0.02446 -0.00593 0.04584 0.01203 45 8PX 0.02529 -0.00206 -0.00206 -0.02687 0.01046 46 8PY -0.00206 0.02529 -0.00206 -0.02687 -0.07829 47 8PZ -0.00206 -0.00206 0.02529 0.05374 0.01046 48 9D 0 0.00201 0.00201 -0.00403 -0.00911 -0.00501 49 9D+1 -0.00414 -0.00117 -0.00414 -0.00379 0.00069 50 9D-1 -0.00117 -0.00414 -0.00414 -0.00379 0.00617 51 9D+2 -0.00349 0.00349 0.00000 0.00000 -0.00868 52 9D-2 -0.00414 -0.00414 -0.00117 0.00759 0.00617 53 3 C 1S 0.01053 0.01053 -0.01053 0.00000 0.00294 54 2S 0.02284 0.02284 -0.02284 0.00000 0.00613 55 3S -0.03514 -0.03514 0.03514 0.00000 -0.01216 56 4S -0.07079 -0.07079 0.07079 0.00000 -0.00546 57 5S -0.04366 -0.04366 0.04366 0.00000 0.03240 58 6PX -0.02165 -0.04010 0.04010 0.02080 0.01119 59 6PY -0.04010 -0.02165 0.04010 0.02080 -0.05231 60 6PZ 0.04010 0.04010 -0.02165 0.04160 -0.01119 61 7PX -0.00593 -0.02446 0.02446 0.02292 0.01203 62 7PY -0.02446 -0.00593 0.02446 0.02292 -0.05021 63 7PZ 0.02446 0.02446 -0.00593 0.04584 -0.01203 64 8PX 0.02529 -0.00206 0.00206 0.02687 0.01046 65 8PY -0.00206 0.02529 0.00206 0.02687 -0.07829 66 8PZ 0.00206 0.00206 0.02529 0.05374 -0.01046 67 9D 0 -0.00201 -0.00201 -0.00403 -0.00911 0.00501 68 9D+1 -0.00414 -0.00117 0.00414 0.00379 0.00069 69 9D-1 -0.00117 -0.00414 0.00414 0.00379 0.00617 70 9D+2 0.00349 -0.00349 0.00000 0.00000 0.00868 71 9D-2 0.00414 0.00414 -0.00117 0.00759 -0.00617 72 4 C 1S 0.01053 -0.01053 0.01053 0.00000 -0.00294 73 2S 0.02284 -0.02284 0.02284 0.00000 -0.00613 74 3S -0.03514 0.03514 -0.03514 0.00000 0.01216 75 4S -0.07079 0.07079 -0.07079 0.00000 0.00546 76 5S -0.04366 0.04366 -0.04366 0.00000 -0.03240 77 6PX -0.02165 0.04010 -0.04010 0.02080 -0.01119 78 6PY 0.04010 -0.02165 0.04010 -0.02080 -0.05231 79 6PZ -0.04010 0.04010 -0.02165 -0.04160 -0.01119 80 7PX -0.00593 0.02446 -0.02446 0.02292 -0.01203 81 7PY 0.02446 -0.00593 0.02446 -0.02292 -0.05021 82 7PZ -0.02446 0.02446 -0.00593 -0.04584 -0.01203 83 8PX 0.02529 0.00206 -0.00206 0.02687 -0.01046 84 8PY 0.00206 0.02529 0.00206 -0.02687 -0.07829 85 8PZ -0.00206 0.00206 0.02529 -0.05374 -0.01046 86 9D 0 -0.00201 0.00201 0.00403 -0.00911 -0.00501 87 9D+1 0.00414 -0.00117 0.00414 -0.00379 0.00069 88 9D-1 -0.00117 0.00414 -0.00414 0.00379 -0.00617 89 9D+2 0.00349 0.00349 0.00000 0.00000 -0.00868 90 9D-2 -0.00414 0.00414 -0.00117 -0.00759 -0.00617 91 5 C 1S -0.01053 0.01053 0.01053 0.00000 0.00294 92 2S -0.02284 0.02284 0.02284 0.00000 0.00613 93 3S 0.03514 -0.03514 -0.03514 0.00000 -0.01216 94 4S 0.07079 -0.07079 -0.07079 0.00000 -0.00546 95 5S 0.04366 -0.04366 -0.04366 0.00000 0.03240 96 6PX -0.02165 0.04010 0.04010 -0.02080 -0.01119 97 6PY 0.04010 -0.02165 -0.04010 0.02080 -0.05231 98 6PZ 0.04010 -0.04010 -0.02165 -0.04160 0.01119 99 7PX -0.00593 0.02446 0.02446 -0.02292 -0.01203 100 7PY 0.02446 -0.00593 -0.02446 0.02292 -0.05021 101 7PZ 0.02446 -0.02446 -0.00593 -0.04584 0.01203 102 8PX 0.02529 0.00206 0.00206 -0.02687 -0.01046 103 8PY 0.00206 0.02529 -0.00206 0.02687 -0.07829 104 8PZ 0.00206 -0.00206 0.02529 -0.05374 0.01046 105 9D 0 0.00201 -0.00201 0.00403 -0.00911 0.00501 106 9D+1 0.00414 -0.00117 -0.00414 0.00379 0.00069 107 9D-1 -0.00117 0.00414 0.00414 -0.00379 -0.00617 108 9D+2 -0.00349 -0.00349 0.00000 0.00000 0.00868 109 9D-2 0.00414 -0.00414 -0.00117 -0.00759 0.00617 110 6 O 1S 0.00358 0.00358 0.00358 0.00000 -0.00128 111 2S 0.00828 0.00828 0.00828 0.00000 -0.00312 112 3S -0.01376 -0.01376 -0.01376 0.00000 0.00607 113 4S -0.01165 -0.01165 -0.01165 0.00000 0.00537 114 5S -0.02369 -0.02369 -0.02369 0.00000 0.04204 115 6PX -0.00105 0.03216 0.03216 0.02202 -0.02297 116 6PY 0.03216 -0.00105 0.03216 0.02202 0.04384 117 6PZ 0.03216 0.03216 -0.00105 -0.04405 -0.02297 118 7PX -0.00259 0.02483 0.02483 0.01777 -0.01960 119 7PY 0.02483 -0.00259 0.02483 0.01777 0.03423 120 7PZ 0.02483 0.02483 -0.00259 -0.03554 -0.01960 121 8PX -0.01178 0.01939 0.01939 0.02708 -0.02992 122 8PY 0.01939 -0.01178 0.01939 0.02708 0.05098 123 8PZ 0.01939 0.01939 -0.01178 -0.05416 -0.02992 124 9D 0 -0.00011 -0.00011 0.00021 -0.00022 -0.00022 125 9D+1 -0.00104 -0.00123 -0.00104 -0.00009 -0.00068 126 9D-1 -0.00123 -0.00104 -0.00104 -0.00009 -0.00030 127 9D+2 0.00018 -0.00018 0.00000 0.00000 -0.00039 128 9D-2 -0.00104 -0.00104 -0.00123 0.00018 -0.00030 129 7 O 1S -0.00358 0.00358 -0.00358 0.00000 -0.00128 130 2S -0.00828 0.00828 -0.00828 0.00000 -0.00312 131 3S 0.01376 -0.01376 0.01376 0.00000 0.00607 132 4S 0.01165 -0.01165 0.01165 0.00000 0.00537 133 5S 0.02369 -0.02369 0.02369 0.00000 0.04204 134 6PX -0.00105 -0.03216 0.03216 -0.02202 0.02297 135 6PY -0.03216 -0.00105 -0.03216 0.02202 0.04384 136 6PZ 0.03216 -0.03216 -0.00105 0.04405 0.02297 137 7PX -0.00259 -0.02483 0.02483 -0.01777 0.01960 138 7PY -0.02483 -0.00259 -0.02483 0.01777 0.03423 139 7PZ 0.02483 -0.02483 -0.00259 0.03554 0.01960 140 8PX -0.01178 -0.01939 0.01939 -0.02708 0.02992 141 8PY -0.01939 -0.01178 -0.01939 0.02708 0.05098 142 8PZ 0.01939 -0.01939 -0.01178 0.05416 0.02992 143 9D 0 0.00011 -0.00011 -0.00021 -0.00022 -0.00022 144 9D+1 0.00104 -0.00123 0.00104 -0.00009 -0.00068 145 9D-1 -0.00123 0.00104 -0.00104 0.00009 0.00030 146 9D+2 -0.00018 -0.00018 0.00000 0.00000 -0.00039 147 9D-2 -0.00104 0.00104 -0.00123 -0.00018 0.00030 148 8 O 1S 0.00358 -0.00358 -0.00358 0.00000 0.00128 149 2S 0.00828 -0.00828 -0.00828 0.00000 0.00312 150 3S -0.01376 0.01376 0.01376 0.00000 -0.00607 151 4S -0.01165 0.01165 0.01165 0.00000 -0.00537 152 5S -0.02369 0.02369 0.02369 0.00000 -0.04204 153 6PX -0.00105 -0.03216 -0.03216 0.02202 0.02297 154 6PY -0.03216 -0.00105 0.03216 -0.02202 0.04384 155 6PZ -0.03216 0.03216 -0.00105 0.04405 -0.02297 156 7PX -0.00259 -0.02483 -0.02483 0.01777 0.01960 157 7PY -0.02483 -0.00259 0.02483 -0.01777 0.03423 158 7PZ -0.02483 0.02483 -0.00259 0.03554 -0.01960 159 8PX -0.01178 -0.01939 -0.01939 0.02708 0.02992 160 8PY -0.01939 -0.01178 0.01939 -0.02708 0.05098 161 8PZ -0.01939 0.01939 -0.01178 0.05416 -0.02992 162 9D 0 -0.00011 0.00011 -0.00021 -0.00022 0.00022 163 9D+1 0.00104 -0.00123 -0.00104 0.00009 -0.00068 164 9D-1 -0.00123 0.00104 0.00104 -0.00009 0.00030 165 9D+2 0.00018 0.00018 0.00000 0.00000 0.00039 166 9D-2 0.00104 -0.00104 -0.00123 -0.00018 -0.00030 167 9 O 1S -0.00358 -0.00358 0.00358 0.00000 0.00128 168 2S -0.00828 -0.00828 0.00828 0.00000 0.00312 169 3S 0.01376 0.01376 -0.01376 0.00000 -0.00607 170 4S 0.01165 0.01165 -0.01165 0.00000 -0.00537 171 5S 0.02369 0.02369 -0.02369 0.00000 -0.04204 172 6PX -0.00105 0.03216 -0.03216 -0.02202 -0.02297 173 6PY 0.03216 -0.00105 -0.03216 -0.02202 0.04384 174 6PZ -0.03216 -0.03216 -0.00105 -0.04405 0.02297 175 7PX -0.00259 0.02483 -0.02483 -0.01777 -0.01960 176 7PY 0.02483 -0.00259 -0.02483 -0.01777 0.03423 177 7PZ -0.02483 -0.02483 -0.00259 -0.03554 0.01960 178 8PX -0.01178 0.01939 -0.01939 -0.02708 -0.02992 179 8PY 0.01939 -0.01178 -0.01939 -0.02708 0.05098 180 8PZ -0.01939 -0.01939 -0.01178 -0.05416 0.02992 181 9D 0 0.00011 0.00011 0.00021 -0.00022 0.00022 182 9D+1 -0.00104 -0.00123 0.00104 0.00009 -0.00068 183 9D-1 -0.00123 -0.00104 0.00104 0.00009 -0.00030 184 9D+2 -0.00018 0.00018 0.00000 0.00000 0.00039 185 9D-2 0.00104 0.00104 -0.00123 0.00018 0.00030 21 22 23 24 25 21 11D-1 0.61130 22 11D+2 0.00000 0.63379 23 11D-2 0.00000 0.00000 0.61130 24 12D 0 0.00000 0.00000 0.00000 0.23910 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.23514 26 12D-1 0.37908 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.38927 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.37908 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.19118 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.17927 31 13D-1 0.28898 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.31127 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.28898 0.00000 0.00000 34 2 C 1S -0.00294 0.00000 -0.00294 0.00000 -0.00231 35 2S -0.00613 0.00000 -0.00613 0.00000 -0.00496 36 3S 0.01216 0.00000 0.01216 0.00000 0.00976 37 4S 0.00546 0.00000 0.00546 0.00000 0.00606 38 5S -0.03240 0.00000 -0.03240 0.00000 -0.01911 39 6PX -0.05231 0.03603 0.01119 -0.01296 0.00650 40 6PY 0.01119 -0.03603 0.01119 -0.01296 -0.03264 41 6PZ 0.01119 0.00000 -0.05231 0.02593 0.00650 42 7PX -0.05021 0.03969 0.01203 -0.01422 0.00703 43 7PY 0.01203 -0.03969 0.01203 -0.01422 -0.03135 44 7PZ 0.01203 0.00000 -0.05021 0.02843 0.00703 45 8PX -0.07829 0.04654 0.01046 -0.01654 0.00639 46 8PY 0.01046 -0.04654 0.01046 -0.01654 -0.04843 47 8PZ 0.01046 0.00000 -0.07829 0.03308 0.00639 48 9D 0 -0.00501 0.00000 0.01003 -0.00553 -0.00309 49 9D+1 0.00617 -0.00657 0.00617 -0.00231 0.00048 50 9D-1 0.00069 0.00657 0.00617 -0.00231 0.00385 51 9D+2 0.00868 -0.00911 0.00000 0.00000 -0.00536 52 9D-2 0.00617 0.00000 0.00069 0.00463 0.00385 53 3 C 1S 0.00294 0.00000 -0.00294 0.00000 0.00231 54 2S 0.00613 0.00000 -0.00613 0.00000 0.00496 55 3S -0.01216 0.00000 0.01216 0.00000 -0.00976 56 4S -0.00546 0.00000 0.00546 0.00000 -0.00606 57 5S 0.03240 0.00000 -0.03240 0.00000 0.01911 58 6PX -0.05231 -0.03603 -0.01119 0.01296 0.00650 59 6PY 0.01119 0.03603 -0.01119 0.01296 -0.03264 60 6PZ -0.01119 0.00000 -0.05231 0.02593 -0.00650 61 7PX -0.05021 -0.03969 -0.01203 0.01422 0.00703 62 7PY 0.01203 0.03969 -0.01203 0.01422 -0.03135 63 7PZ -0.01203 0.00000 -0.05021 0.02843 -0.00703 64 8PX -0.07829 -0.04654 -0.01046 0.01654 0.00639 65 8PY 0.01046 0.04654 -0.01046 0.01654 -0.04843 66 8PZ -0.01046 0.00000 -0.07829 0.03308 -0.00639 67 9D 0 0.00501 0.00000 0.01003 -0.00553 0.00309 68 9D+1 0.00617 0.00657 -0.00617 0.00231 0.00048 69 9D-1 0.00069 -0.00657 -0.00617 0.00231 0.00385 70 9D+2 -0.00868 -0.00911 0.00000 0.00000 0.00536 71 9D-2 -0.00617 0.00000 0.00069 0.00463 -0.00385 72 4 C 1S 0.00294 0.00000 0.00294 0.00000 -0.00231 73 2S 0.00613 0.00000 0.00613 0.00000 -0.00496 74 3S -0.01216 0.00000 -0.01216 0.00000 0.00976 75 4S -0.00546 0.00000 -0.00546 0.00000 0.00606 76 5S 0.03240 0.00000 0.03240 0.00000 -0.01911 77 6PX -0.05231 -0.03603 0.01119 0.01296 -0.00650 78 6PY -0.01119 -0.03603 -0.01119 -0.01296 -0.03264 79 6PZ 0.01119 0.00000 -0.05231 -0.02593 -0.00650 80 7PX -0.05021 -0.03969 0.01203 0.01422 -0.00703 81 7PY -0.01203 -0.03969 -0.01203 -0.01422 -0.03135 82 7PZ 0.01203 0.00000 -0.05021 -0.02843 -0.00703 83 8PX -0.07829 -0.04654 0.01046 0.01654 -0.00639 84 8PY -0.01046 -0.04654 -0.01046 -0.01654 -0.04843 85 8PZ 0.01046 0.00000 -0.07829 -0.03308 -0.00639 86 9D 0 0.00501 0.00000 -0.01003 -0.00553 -0.00309 87 9D+1 -0.00617 -0.00657 -0.00617 -0.00231 0.00048 88 9D-1 0.00069 -0.00657 0.00617 0.00231 -0.00385 89 9D+2 -0.00868 -0.00911 0.00000 0.00000 -0.00536 90 9D-2 0.00617 0.00000 0.00069 -0.00463 -0.00385 91 5 C 1S -0.00294 0.00000 0.00294 0.00000 0.00231 92 2S -0.00613 0.00000 0.00613 0.00000 0.00496 93 3S 0.01216 0.00000 -0.01216 0.00000 -0.00976 94 4S 0.00546 0.00000 -0.00546 0.00000 -0.00606 95 5S -0.03240 0.00000 0.03240 0.00000 0.01911 96 6PX -0.05231 0.03603 -0.01119 -0.01296 -0.00650 97 6PY -0.01119 0.03603 0.01119 0.01296 -0.03264 98 6PZ -0.01119 0.00000 -0.05231 -0.02593 0.00650 99 7PX -0.05021 0.03969 -0.01203 -0.01422 -0.00703 100 7PY -0.01203 0.03969 0.01203 0.01422 -0.03135 101 7PZ -0.01203 0.00000 -0.05021 -0.02843 0.00703 102 8PX -0.07829 0.04654 -0.01046 -0.01654 -0.00639 103 8PY -0.01046 0.04654 0.01046 0.01654 -0.04843 104 8PZ -0.01046 0.00000 -0.07829 -0.03308 0.00639 105 9D 0 -0.00501 0.00000 -0.01003 -0.00553 0.00309 106 9D+1 -0.00617 0.00657 0.00617 0.00231 0.00048 107 9D-1 0.00069 0.00657 -0.00617 -0.00231 -0.00385 108 9D+2 0.00868 -0.00911 0.00000 0.00000 0.00536 109 9D-2 -0.00617 0.00000 0.00069 -0.00463 0.00385 110 6 O 1S -0.00128 0.00000 -0.00128 0.00000 -0.00095 111 2S -0.00312 0.00000 -0.00312 0.00000 -0.00221 112 3S 0.00607 0.00000 0.00607 0.00000 0.00389 113 4S 0.00537 0.00000 0.00537 0.00000 0.00337 114 5S 0.04204 0.00000 0.04204 0.00000 0.02541 115 6PX 0.04384 -0.03815 -0.02297 0.01321 -0.01457 116 6PY -0.02297 0.03815 -0.02297 0.01321 0.02662 117 6PZ -0.02297 0.00000 0.04384 -0.02643 -0.01457 118 7PX 0.03423 -0.03078 -0.01960 0.01066 -0.01234 119 7PY -0.01960 0.03078 -0.01960 0.01066 0.02084 120 7PZ -0.01960 0.00000 0.03423 -0.02131 -0.01234 121 8PX 0.05098 -0.04690 -0.02992 0.01650 -0.01849 122 8PY -0.02992 0.04690 -0.02992 0.01650 0.03144 123 8PZ -0.02992 0.00000 0.05098 -0.03299 -0.01849 124 9D 0 -0.00022 0.00000 0.00045 -0.00018 -0.00014 125 9D+1 -0.00030 -0.00015 -0.00030 -0.00007 -0.00038 126 9D-1 -0.00068 0.00015 -0.00030 -0.00007 -0.00015 127 9D+2 0.00039 -0.00022 0.00000 0.00000 -0.00024 128 9D-2 -0.00030 0.00000 -0.00068 0.00013 -0.00015 129 7 O 1S 0.00128 0.00000 0.00128 0.00000 -0.00095 130 2S 0.00312 0.00000 0.00312 0.00000 -0.00221 131 3S -0.00607 0.00000 -0.00607 0.00000 0.00389 132 4S -0.00537 0.00000 -0.00537 0.00000 0.00337 133 5S -0.04204 0.00000 -0.04204 0.00000 0.02541 134 6PX 0.04384 0.03815 -0.02297 -0.01321 0.01457 135 6PY 0.02297 0.03815 0.02297 0.01321 0.02662 136 6PZ -0.02297 0.00000 0.04384 0.02643 0.01457 137 7PX 0.03423 0.03078 -0.01960 -0.01066 0.01234 138 7PY 0.01960 0.03078 0.01960 0.01066 0.02084 139 7PZ -0.01960 0.00000 0.03423 0.02131 0.01234 140 8PX 0.05098 0.04690 -0.02992 -0.01650 0.01849 141 8PY 0.02992 0.04690 0.02992 0.01650 0.03144 142 8PZ -0.02992 0.00000 0.05098 0.03299 0.01849 143 9D 0 0.00022 0.00000 -0.00045 -0.00018 -0.00014 144 9D+1 0.00030 -0.00015 0.00030 -0.00007 -0.00038 145 9D-1 -0.00068 -0.00015 -0.00030 0.00007 0.00015 146 9D+2 -0.00039 -0.00022 0.00000 0.00000 -0.00024 147 9D-2 -0.00030 0.00000 -0.00068 -0.00013 0.00015 148 8 O 1S -0.00128 0.00000 0.00128 0.00000 0.00095 149 2S -0.00312 0.00000 0.00312 0.00000 0.00221 150 3S 0.00607 0.00000 -0.00607 0.00000 -0.00389 151 4S 0.00537 0.00000 -0.00537 0.00000 -0.00337 152 5S 0.04204 0.00000 -0.04204 0.00000 -0.02541 153 6PX 0.04384 -0.03815 0.02297 0.01321 0.01457 154 6PY 0.02297 -0.03815 -0.02297 -0.01321 0.02662 155 6PZ 0.02297 0.00000 0.04384 0.02643 -0.01457 156 7PX 0.03423 -0.03078 0.01960 0.01066 0.01234 157 7PY 0.01960 -0.03078 -0.01960 -0.01066 0.02084 158 7PZ 0.01960 0.00000 0.03423 0.02131 -0.01234 159 8PX 0.05098 -0.04690 0.02992 0.01650 0.01849 160 8PY 0.02992 -0.04690 -0.02992 -0.01650 0.03144 161 8PZ 0.02992 0.00000 0.05098 0.03299 -0.01849 162 9D 0 -0.00022 0.00000 -0.00045 -0.00018 0.00014 163 9D+1 0.00030 0.00015 -0.00030 0.00007 -0.00038 164 9D-1 -0.00068 0.00015 0.00030 -0.00007 0.00015 165 9D+2 0.00039 -0.00022 0.00000 0.00000 0.00024 166 9D-2 0.00030 0.00000 -0.00068 -0.00013 -0.00015 167 9 O 1S 0.00128 0.00000 -0.00128 0.00000 0.00095 168 2S 0.00312 0.00000 -0.00312 0.00000 0.00221 169 3S -0.00607 0.00000 0.00607 0.00000 -0.00389 170 4S -0.00537 0.00000 0.00537 0.00000 -0.00337 171 5S -0.04204 0.00000 0.04204 0.00000 -0.02541 172 6PX 0.04384 0.03815 0.02297 -0.01321 -0.01457 173 6PY -0.02297 -0.03815 0.02297 -0.01321 0.02662 174 6PZ 0.02297 0.00000 0.04384 -0.02643 0.01457 175 7PX 0.03423 0.03078 0.01960 -0.01066 -0.01234 176 7PY -0.01960 -0.03078 0.01960 -0.01066 0.02084 177 7PZ 0.01960 0.00000 0.03423 -0.02131 0.01234 178 8PX 0.05098 0.04690 0.02992 -0.01650 -0.01849 179 8PY -0.02992 -0.04690 0.02992 -0.01650 0.03144 180 8PZ 0.02992 0.00000 0.05098 -0.03299 0.01849 181 9D 0 0.00022 0.00000 0.00045 -0.00018 0.00014 182 9D+1 -0.00030 0.00015 0.00030 0.00007 -0.00038 183 9D-1 -0.00068 -0.00015 0.00030 0.00007 -0.00015 184 9D+2 -0.00039 -0.00022 0.00000 0.00000 0.00024 185 9D-2 0.00030 0.00000 -0.00068 0.00013 0.00015 26 27 28 29 30 26 12D-1 0.23514 27 12D+2 0.00000 0.23910 28 12D-2 0.00000 0.00000 0.23514 29 13D 0 0.00000 0.00000 0.00000 0.15287 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.13741 31 13D-1 0.17927 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.19118 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.17927 0.00000 0.00000 34 2 C 1S -0.00231 0.00000 -0.00231 0.00000 -0.00165 35 2S -0.00496 0.00000 -0.00496 0.00000 -0.00357 36 3S 0.00976 0.00000 0.00976 0.00000 0.00677 37 4S 0.00606 0.00000 0.00606 0.00000 0.00744 38 5S -0.01911 0.00000 -0.01911 0.00000 -0.01216 39 6PX -0.03264 0.02245 0.00650 -0.01017 0.00131 40 6PY 0.00650 -0.02245 0.00650 -0.01017 -0.02967 41 6PZ 0.00650 0.00000 -0.03264 0.02034 0.00131 42 7PX -0.03135 0.02462 0.00703 -0.01122 0.00386 43 7PY 0.00703 -0.02462 0.00703 -0.01122 -0.02618 44 7PZ 0.00703 0.00000 -0.03135 0.02244 0.00386 45 8PX -0.04843 0.02865 0.00639 -0.01319 0.00519 46 8PY 0.00639 -0.02865 0.00639 -0.01319 -0.03641 47 8PZ 0.00639 0.00000 -0.04843 0.02638 0.00519 48 9D 0 -0.00309 0.00000 0.00619 -0.00449 -0.00222 49 9D+1 0.00385 -0.00401 0.00385 -0.00187 0.00014 50 9D-1 0.00048 0.00401 0.00385 -0.00187 0.00246 51 9D+2 0.00536 -0.00553 0.00000 0.00000 -0.00385 52 9D-2 0.00385 0.00000 0.00048 0.00374 0.00246 53 3 C 1S 0.00231 0.00000 -0.00231 0.00000 0.00165 54 2S 0.00496 0.00000 -0.00496 0.00000 0.00357 55 3S -0.00976 0.00000 0.00976 0.00000 -0.00677 56 4S -0.00606 0.00000 0.00606 0.00000 -0.00744 57 5S 0.01911 0.00000 -0.01911 0.00000 0.01216 58 6PX -0.03264 -0.02245 -0.00650 0.01017 0.00131 59 6PY 0.00650 0.02245 -0.00650 0.01017 -0.02967 60 6PZ -0.00650 0.00000 -0.03264 0.02034 -0.00131 61 7PX -0.03135 -0.02462 -0.00703 0.01122 0.00386 62 7PY 0.00703 0.02462 -0.00703 0.01122 -0.02618 63 7PZ -0.00703 0.00000 -0.03135 0.02244 -0.00386 64 8PX -0.04843 -0.02865 -0.00639 0.01319 0.00519 65 8PY 0.00639 0.02865 -0.00639 0.01319 -0.03641 66 8PZ -0.00639 0.00000 -0.04843 0.02638 -0.00519 67 9D 0 0.00309 0.00000 0.00619 -0.00449 0.00222 68 9D+1 0.00385 0.00401 -0.00385 0.00187 0.00014 69 9D-1 0.00048 -0.00401 -0.00385 0.00187 0.00246 70 9D+2 -0.00536 -0.00553 0.00000 0.00000 0.00385 71 9D-2 -0.00385 0.00000 0.00048 0.00374 -0.00246 72 4 C 1S 0.00231 0.00000 0.00231 0.00000 -0.00165 73 2S 0.00496 0.00000 0.00496 0.00000 -0.00357 74 3S -0.00976 0.00000 -0.00976 0.00000 0.00677 75 4S -0.00606 0.00000 -0.00606 0.00000 0.00744 76 5S 0.01911 0.00000 0.01911 0.00000 -0.01216 77 6PX -0.03264 -0.02245 0.00650 0.01017 -0.00131 78 6PY -0.00650 -0.02245 -0.00650 -0.01017 -0.02967 79 6PZ 0.00650 0.00000 -0.03264 -0.02034 -0.00131 80 7PX -0.03135 -0.02462 0.00703 0.01122 -0.00386 81 7PY -0.00703 -0.02462 -0.00703 -0.01122 -0.02618 82 7PZ 0.00703 0.00000 -0.03135 -0.02244 -0.00386 83 8PX -0.04843 -0.02865 0.00639 0.01319 -0.00519 84 8PY -0.00639 -0.02865 -0.00639 -0.01319 -0.03641 85 8PZ 0.00639 0.00000 -0.04843 -0.02638 -0.00519 86 9D 0 0.00309 0.00000 -0.00619 -0.00449 -0.00222 87 9D+1 -0.00385 -0.00401 -0.00385 -0.00187 0.00014 88 9D-1 0.00048 -0.00401 0.00385 0.00187 -0.00246 89 9D+2 -0.00536 -0.00553 0.00000 0.00000 -0.00385 90 9D-2 0.00385 0.00000 0.00048 -0.00374 -0.00246 91 5 C 1S -0.00231 0.00000 0.00231 0.00000 0.00165 92 2S -0.00496 0.00000 0.00496 0.00000 0.00357 93 3S 0.00976 0.00000 -0.00976 0.00000 -0.00677 94 4S 0.00606 0.00000 -0.00606 0.00000 -0.00744 95 5S -0.01911 0.00000 0.01911 0.00000 0.01216 96 6PX -0.03264 0.02245 -0.00650 -0.01017 -0.00131 97 6PY -0.00650 0.02245 0.00650 0.01017 -0.02967 98 6PZ -0.00650 0.00000 -0.03264 -0.02034 0.00131 99 7PX -0.03135 0.02462 -0.00703 -0.01122 -0.00386 100 7PY -0.00703 0.02462 0.00703 0.01122 -0.02618 101 7PZ -0.00703 0.00000 -0.03135 -0.02244 0.00386 102 8PX -0.04843 0.02865 -0.00639 -0.01319 -0.00519 103 8PY -0.00639 0.02865 0.00639 0.01319 -0.03641 104 8PZ -0.00639 0.00000 -0.04843 -0.02638 0.00519 105 9D 0 -0.00309 0.00000 -0.00619 -0.00449 0.00222 106 9D+1 -0.00385 0.00401 0.00385 0.00187 0.00014 107 9D-1 0.00048 0.00401 -0.00385 -0.00187 -0.00246 108 9D+2 0.00536 -0.00553 0.00000 0.00000 0.00385 109 9D-2 -0.00385 0.00000 0.00048 -0.00374 0.00246 110 6 O 1S -0.00095 0.00000 -0.00095 0.00000 0.00050 111 2S -0.00221 0.00000 -0.00221 0.00000 0.00078 112 3S 0.00389 0.00000 0.00389 0.00000 0.00021 113 4S 0.00337 0.00000 0.00337 0.00000 -0.00003 114 5S 0.02541 0.00000 0.02541 0.00000 0.01870 115 6PX 0.02662 -0.02289 -0.01457 0.01089 -0.00616 116 6PY -0.01457 0.02289 -0.01457 0.01089 0.02162 117 6PZ -0.01457 0.00000 0.02662 -0.02179 -0.00616 118 7PX 0.02084 -0.01846 -0.01234 0.00879 -0.00577 119 7PY -0.01234 0.01846 -0.01234 0.00879 0.01651 120 7PZ -0.01234 0.00000 0.02084 -0.01758 -0.00577 121 8PX 0.03144 -0.02857 -0.01849 0.01333 -0.01238 122 8PY -0.01849 0.02857 -0.01849 0.01333 0.02379 123 8PZ -0.01849 0.00000 0.03144 -0.02666 -0.01238 124 9D 0 -0.00014 0.00000 0.00028 -0.00010 -0.00017 125 9D+1 -0.00015 -0.00012 -0.00015 -0.00004 -0.00063 126 9D-1 -0.00038 0.00012 -0.00015 -0.00004 -0.00034 127 9D+2 0.00024 -0.00018 0.00000 0.00000 -0.00030 128 9D-2 -0.00015 0.00000 -0.00038 0.00008 -0.00034 129 7 O 1S 0.00095 0.00000 0.00095 0.00000 0.00050 130 2S 0.00221 0.00000 0.00221 0.00000 0.00078 131 3S -0.00389 0.00000 -0.00389 0.00000 0.00021 132 4S -0.00337 0.00000 -0.00337 0.00000 -0.00003 133 5S -0.02541 0.00000 -0.02541 0.00000 0.01870 134 6PX 0.02662 0.02289 -0.01457 -0.01089 0.00616 135 6PY 0.01457 0.02289 0.01457 0.01089 0.02162 136 6PZ -0.01457 0.00000 0.02662 0.02179 0.00616 137 7PX 0.02084 0.01846 -0.01234 -0.00879 0.00577 138 7PY 0.01234 0.01846 0.01234 0.00879 0.01651 139 7PZ -0.01234 0.00000 0.02084 0.01758 0.00577 140 8PX 0.03144 0.02857 -0.01849 -0.01333 0.01238 141 8PY 0.01849 0.02857 0.01849 0.01333 0.02379 142 8PZ -0.01849 0.00000 0.03144 0.02666 0.01238 143 9D 0 0.00014 0.00000 -0.00028 -0.00010 -0.00017 144 9D+1 0.00015 -0.00012 0.00015 -0.00004 -0.00063 145 9D-1 -0.00038 -0.00012 -0.00015 0.00004 0.00034 146 9D+2 -0.00024 -0.00018 0.00000 0.00000 -0.00030 147 9D-2 -0.00015 0.00000 -0.00038 -0.00008 0.00034 148 8 O 1S -0.00095 0.00000 0.00095 0.00000 -0.00050 149 2S -0.00221 0.00000 0.00221 0.00000 -0.00078 150 3S 0.00389 0.00000 -0.00389 0.00000 -0.00021 151 4S 0.00337 0.00000 -0.00337 0.00000 0.00003 152 5S 0.02541 0.00000 -0.02541 0.00000 -0.01870 153 6PX 0.02662 -0.02289 0.01457 0.01089 0.00616 154 6PY 0.01457 -0.02289 -0.01457 -0.01089 0.02162 155 6PZ 0.01457 0.00000 0.02662 0.02179 -0.00616 156 7PX 0.02084 -0.01846 0.01234 0.00879 0.00577 157 7PY 0.01234 -0.01846 -0.01234 -0.00879 0.01651 158 7PZ 0.01234 0.00000 0.02084 0.01758 -0.00577 159 8PX 0.03144 -0.02857 0.01849 0.01333 0.01238 160 8PY 0.01849 -0.02857 -0.01849 -0.01333 0.02379 161 8PZ 0.01849 0.00000 0.03144 0.02666 -0.01238 162 9D 0 -0.00014 0.00000 -0.00028 -0.00010 0.00017 163 9D+1 0.00015 0.00012 -0.00015 0.00004 -0.00063 164 9D-1 -0.00038 0.00012 0.00015 -0.00004 0.00034 165 9D+2 0.00024 -0.00018 0.00000 0.00000 0.00030 166 9D-2 0.00015 0.00000 -0.00038 -0.00008 -0.00034 167 9 O 1S 0.00095 0.00000 -0.00095 0.00000 -0.00050 168 2S 0.00221 0.00000 -0.00221 0.00000 -0.00078 169 3S -0.00389 0.00000 0.00389 0.00000 -0.00021 170 4S -0.00337 0.00000 0.00337 0.00000 0.00003 171 5S -0.02541 0.00000 0.02541 0.00000 -0.01870 172 6PX 0.02662 0.02289 0.01457 -0.01089 -0.00616 173 6PY -0.01457 -0.02289 0.01457 -0.01089 0.02162 174 6PZ 0.01457 0.00000 0.02662 -0.02179 0.00616 175 7PX 0.02084 0.01846 0.01234 -0.00879 -0.00577 176 7PY -0.01234 -0.01846 0.01234 -0.00879 0.01651 177 7PZ 0.01234 0.00000 0.02084 -0.01758 0.00577 178 8PX 0.03144 0.02857 0.01849 -0.01333 -0.01238 179 8PY -0.01849 -0.02857 0.01849 -0.01333 0.02379 180 8PZ 0.01849 0.00000 0.03144 -0.02666 0.01238 181 9D 0 0.00014 0.00000 0.00028 -0.00010 0.00017 182 9D+1 -0.00015 0.00012 0.00015 0.00004 -0.00063 183 9D-1 -0.00038 -0.00012 0.00015 0.00004 -0.00034 184 9D+2 -0.00024 -0.00018 0.00000 0.00000 0.00030 185 9D-2 0.00015 0.00000 -0.00038 0.00008 0.00034 31 32 33 34 35 31 13D-1 0.13741 32 13D+2 0.00000 0.15287 33 13D-2 0.00000 0.00000 0.13741 34 2 C 1S -0.00165 0.00000 -0.00165 0.45858 35 2S -0.00357 0.00000 -0.00357 0.61736 0.84599 36 3S 0.00677 0.00000 0.00677 -0.04613 -0.12732 37 4S 0.00744 0.00000 0.00744 -0.11653 -0.22850 38 5S -0.01216 0.00000 -0.01216 -0.01664 -0.04431 39 6PX -0.02967 0.01761 0.00131 0.00661 0.01378 40 6PY 0.00131 -0.01761 0.00131 0.00661 0.01378 41 6PZ 0.00131 0.00000 -0.02967 0.00661 0.01378 42 7PX -0.02618 0.01943 0.00386 0.01057 0.02183 43 7PY 0.00386 -0.01943 0.00386 0.01057 0.02183 44 7PZ 0.00386 0.00000 -0.02618 0.01057 0.02183 45 8PX -0.03641 0.02284 0.00519 -0.00218 -0.00169 46 8PY 0.00519 -0.02284 0.00519 -0.00218 -0.00169 47 8PZ 0.00519 0.00000 -0.03641 -0.00218 -0.00169 48 9D 0 -0.00222 0.00000 0.00444 0.00000 0.00000 49 9D+1 0.00246 -0.00324 0.00246 -0.00074 -0.00255 50 9D-1 0.00014 0.00324 0.00246 -0.00074 -0.00255 51 9D+2 0.00385 -0.00449 0.00000 0.00000 0.00000 52 9D-2 0.00246 0.00000 0.00014 -0.00074 -0.00255 53 3 C 1S 0.00165 0.00000 -0.00165 -0.00071 -0.00161 54 2S 0.00357 0.00000 -0.00357 -0.00161 -0.00356 55 3S -0.00677 0.00000 0.00677 0.00306 0.00644 56 4S -0.00744 0.00000 0.00744 0.00401 0.00902 57 5S 0.01216 0.00000 -0.01216 0.00654 0.01277 58 6PX -0.02967 -0.01761 -0.00131 0.00070 0.00159 59 6PY 0.00131 0.01761 -0.00131 0.00070 0.00159 60 6PZ -0.00131 0.00000 -0.02967 -0.00321 -0.00694 61 7PX -0.02618 -0.01943 -0.00386 -0.00035 -0.00039 62 7PY 0.00386 0.01943 -0.00386 -0.00035 -0.00039 63 7PZ -0.00386 0.00000 -0.02618 -0.00233 -0.00518 64 8PX -0.03641 -0.02284 -0.00519 -0.00141 -0.00223 65 8PY 0.00519 0.02284 -0.00519 -0.00141 -0.00223 66 8PZ -0.00519 0.00000 -0.03641 -0.00225 -0.00463 67 9D 0 0.00222 0.00000 0.00444 0.00049 0.00105 68 9D+1 0.00246 0.00324 -0.00246 -0.00009 -0.00015 69 9D-1 0.00014 -0.00324 -0.00246 -0.00009 -0.00015 70 9D+2 -0.00385 -0.00449 0.00000 0.00000 0.00000 71 9D-2 -0.00246 0.00000 0.00014 -0.00054 -0.00113 72 4 C 1S 0.00165 0.00000 0.00165 -0.00071 -0.00161 73 2S 0.00357 0.00000 0.00357 -0.00161 -0.00356 74 3S -0.00677 0.00000 -0.00677 0.00306 0.00644 75 4S -0.00744 0.00000 -0.00744 0.00401 0.00902 76 5S 0.01216 0.00000 0.01216 0.00654 0.01277 77 6PX -0.02967 -0.01761 0.00131 0.00070 0.00159 78 6PY -0.00131 -0.01761 -0.00131 -0.00321 -0.00694 79 6PZ 0.00131 0.00000 -0.02967 0.00070 0.00159 80 7PX -0.02618 -0.01943 0.00386 -0.00035 -0.00039 81 7PY -0.00386 -0.01943 -0.00386 -0.00233 -0.00518 82 7PZ 0.00386 0.00000 -0.02618 -0.00035 -0.00039 83 8PX -0.03641 -0.02284 0.00519 -0.00141 -0.00223 84 8PY -0.00519 -0.02284 -0.00519 -0.00225 -0.00463 85 8PZ 0.00519 0.00000 -0.03641 -0.00141 -0.00223 86 9D 0 0.00222 0.00000 -0.00444 -0.00025 -0.00053 87 9D+1 -0.00246 -0.00324 -0.00246 -0.00054 -0.00113 88 9D-1 0.00014 -0.00324 0.00246 -0.00009 -0.00015 89 9D+2 -0.00385 -0.00449 0.00000 -0.00043 -0.00091 90 9D-2 0.00246 0.00000 0.00014 -0.00009 -0.00015 91 5 C 1S -0.00165 0.00000 0.00165 -0.00071 -0.00161 92 2S -0.00357 0.00000 0.00357 -0.00161 -0.00356 93 3S 0.00677 0.00000 -0.00677 0.00306 0.00644 94 4S 0.00744 0.00000 -0.00744 0.00401 0.00902 95 5S -0.01216 0.00000 0.01216 0.00654 0.01277 96 6PX -0.02967 0.01761 -0.00131 -0.00321 -0.00694 97 6PY -0.00131 0.01761 0.00131 0.00070 0.00159 98 6PZ -0.00131 0.00000 -0.02967 0.00070 0.00159 99 7PX -0.02618 0.01943 -0.00386 -0.00233 -0.00518 100 7PY -0.00386 0.01943 0.00386 -0.00035 -0.00039 101 7PZ -0.00386 0.00000 -0.02618 -0.00035 -0.00039 102 8PX -0.03641 0.02284 -0.00519 -0.00225 -0.00463 103 8PY -0.00519 0.02284 0.00519 -0.00141 -0.00223 104 8PZ -0.00519 0.00000 -0.03641 -0.00141 -0.00223 105 9D 0 -0.00222 0.00000 -0.00444 -0.00025 -0.00053 106 9D+1 -0.00246 0.00324 0.00246 -0.00009 -0.00015 107 9D-1 0.00014 0.00324 -0.00246 -0.00054 -0.00113 108 9D+2 0.00385 -0.00449 0.00000 0.00043 0.00091 109 9D-2 -0.00246 0.00000 0.00014 -0.00009 -0.00015 110 6 O 1S 0.00050 0.00000 0.00050 0.00308 0.00592 111 2S 0.00078 0.00000 0.00078 0.00692 0.01328 112 3S 0.00021 0.00000 0.00021 -0.00693 -0.01408 113 4S -0.00003 0.00000 -0.00003 -0.01252 -0.01702 114 5S 0.01870 0.00000 0.01870 0.03116 0.06048 115 6PX 0.02162 -0.01887 -0.00616 0.02301 0.04868 116 6PY -0.00616 0.01887 -0.00616 0.02301 0.04868 117 6PZ -0.00616 0.00000 0.02162 0.02301 0.04868 118 7PX 0.01651 -0.01523 -0.00577 0.01758 0.03523 119 7PY -0.00577 0.01523 -0.00577 0.01758 0.03523 120 7PZ -0.00577 0.00000 0.01651 0.01758 0.03523 121 8PX 0.02379 -0.02309 -0.01238 0.00149 0.00465 122 8PY -0.01238 0.02309 -0.01238 0.00149 0.00465 123 8PZ -0.01238 0.00000 0.02379 0.00149 0.00465 124 9D 0 -0.00017 0.00000 0.00035 0.00000 0.00000 125 9D+1 -0.00034 -0.00007 -0.00034 -0.00264 -0.00497 126 9D-1 -0.00063 0.00007 -0.00034 -0.00264 -0.00497 127 9D+2 0.00030 -0.00010 0.00000 0.00000 0.00000 128 9D-2 -0.00034 0.00000 -0.00063 -0.00264 -0.00497 129 7 O 1S -0.00050 0.00000 -0.00050 0.00015 0.00034 130 2S -0.00078 0.00000 -0.00078 0.00037 0.00082 131 3S -0.00021 0.00000 -0.00021 -0.00069 -0.00147 132 4S 0.00003 0.00000 0.00003 -0.00075 -0.00179 133 5S -0.01870 0.00000 -0.01870 -0.00269 -0.00461 134 6PX 0.02162 0.01887 -0.00616 0.00079 0.00175 135 6PY 0.00616 0.01887 0.00616 0.00341 0.00760 136 6PZ -0.00616 0.00000 0.02162 0.00079 0.00175 137 7PX 0.01651 0.01523 -0.00577 0.00056 0.00139 138 7PY 0.00577 0.01523 0.00577 0.00286 0.00638 139 7PZ -0.00577 0.00000 0.01651 0.00056 0.00139 140 8PX 0.02379 0.02309 -0.01238 0.00084 0.00170 141 8PY 0.01238 0.02309 0.01238 0.00329 0.00676 142 8PZ -0.01238 0.00000 0.02379 0.00084 0.00170 143 9D 0 0.00017 0.00000 -0.00035 0.00001 0.00003 144 9D+1 0.00034 -0.00007 0.00034 -0.00003 -0.00004 145 9D-1 -0.00063 -0.00007 -0.00034 0.00005 0.00009 146 9D+2 -0.00030 -0.00010 0.00000 0.00002 0.00005 147 9D-2 -0.00034 0.00000 -0.00063 0.00005 0.00009 148 8 O 1S 0.00050 0.00000 -0.00050 0.00015 0.00034 149 2S 0.00078 0.00000 -0.00078 0.00037 0.00082 150 3S 0.00021 0.00000 -0.00021 -0.00069 -0.00147 151 4S -0.00003 0.00000 0.00003 -0.00075 -0.00179 152 5S 0.01870 0.00000 -0.01870 -0.00269 -0.00461 153 6PX 0.02162 -0.01887 0.00616 0.00341 0.00760 154 6PY 0.00616 -0.01887 -0.00616 0.00079 0.00175 155 6PZ 0.00616 0.00000 0.02162 0.00079 0.00175 156 7PX 0.01651 -0.01523 0.00577 0.00286 0.00638 157 7PY 0.00577 -0.01523 -0.00577 0.00056 0.00139 158 7PZ 0.00577 0.00000 0.01651 0.00056 0.00139 159 8PX 0.02379 -0.02309 0.01238 0.00329 0.00676 160 8PY 0.01238 -0.02309 -0.01238 0.00084 0.00170 161 8PZ 0.01238 0.00000 0.02379 0.00084 0.00170 162 9D 0 -0.00017 0.00000 -0.00035 0.00001 0.00003 163 9D+1 0.00034 0.00007 -0.00034 0.00005 0.00009 164 9D-1 -0.00063 0.00007 0.00034 -0.00003 -0.00004 165 9D+2 0.00030 -0.00010 0.00000 -0.00002 -0.00005 166 9D-2 0.00034 0.00000 -0.00063 0.00005 0.00009 167 9 O 1S -0.00050 0.00000 0.00050 0.00015 0.00034 168 2S -0.00078 0.00000 0.00078 0.00037 0.00082 169 3S -0.00021 0.00000 0.00021 -0.00069 -0.00147 170 4S 0.00003 0.00000 -0.00003 -0.00075 -0.00179 171 5S -0.01870 0.00000 0.01870 -0.00269 -0.00461 172 6PX 0.02162 0.01887 0.00616 0.00079 0.00175 173 6PY -0.00616 -0.01887 0.00616 0.00079 0.00175 174 6PZ 0.00616 0.00000 0.02162 0.00341 0.00760 175 7PX 0.01651 0.01523 0.00577 0.00056 0.00139 176 7PY -0.00577 -0.01523 0.00577 0.00056 0.00139 177 7PZ 0.00577 0.00000 0.01651 0.00286 0.00638 178 8PX 0.02379 0.02309 0.01238 0.00084 0.00170 179 8PY -0.01238 -0.02309 0.01238 0.00084 0.00170 180 8PZ 0.01238 0.00000 0.02379 0.00329 0.00676 181 9D 0 0.00017 0.00000 0.00035 -0.00002 -0.00005 182 9D+1 -0.00034 0.00007 0.00034 0.00005 0.00009 183 9D-1 -0.00063 -0.00007 0.00034 0.00005 0.00009 184 9D+2 -0.00030 -0.00010 0.00000 0.00000 0.00000 185 9D-2 0.00034 0.00000 -0.00063 -0.00003 -0.00004 36 37 38 39 40 36 3S 0.29183 37 4S 0.31816 0.43895 38 5S 0.09181 0.14954 0.07254 39 6PX -0.01173 -0.10037 -0.05782 0.18923 40 6PY -0.01173 -0.10037 -0.05782 0.05424 0.18923 41 6PZ -0.01173 -0.10037 -0.05782 0.05424 0.05424 42 7PX -0.02918 -0.07342 -0.03509 0.11838 0.01491 43 7PY -0.02918 -0.07342 -0.03509 0.01491 0.11838 44 7PZ -0.02918 -0.07342 -0.03509 0.01491 0.01491 45 8PX -0.00653 0.00077 0.00656 0.02079 -0.02170 46 8PY -0.00653 0.00077 0.00656 -0.02170 0.02079 47 8PZ -0.00653 0.00077 0.00656 -0.02170 -0.02170 48 9D 0 0.00000 0.00000 0.00000 -0.00580 -0.00580 49 9D+1 0.00781 0.00019 -0.00323 0.01157 0.00145 50 9D-1 0.00781 0.00019 -0.00323 0.00145 0.01157 51 9D+2 0.00000 0.00000 0.00000 0.01005 -0.01005 52 9D-2 0.00781 0.00019 -0.00323 0.01157 0.01157 53 3 C 1S 0.00306 0.00401 0.00654 -0.00070 -0.00070 54 2S 0.00644 0.00902 0.01277 -0.00159 -0.00159 55 3S -0.01039 -0.01646 -0.01699 0.00402 0.00402 56 4S -0.01646 -0.02509 -0.02983 0.00216 0.00216 57 5S -0.01699 -0.02983 -0.01965 0.00774 0.00774 58 6PX -0.00402 -0.00216 -0.00774 -0.00022 -0.00350 59 6PY -0.00402 -0.00216 -0.00774 -0.00350 -0.00022 60 6PZ 0.01050 0.02240 0.02086 -0.00719 -0.00719 61 7PX -0.00133 0.00223 -0.00219 -0.00279 -0.00601 62 7PY -0.00133 0.00223 -0.00219 -0.00601 -0.00279 63 7PZ 0.00820 0.01656 0.01528 -0.00443 -0.00443 64 8PX 0.00084 0.00550 0.00793 0.00081 -0.00472 65 8PY 0.00084 0.00550 0.00793 -0.00472 0.00081 66 8PZ 0.00624 0.01278 0.01026 -0.00728 -0.00728 67 9D 0 -0.00169 -0.00278 -0.00288 0.00160 0.00160 68 9D+1 0.00015 0.00007 -0.00020 -0.00072 -0.00067 69 9D-1 0.00015 0.00007 -0.00020 -0.00067 -0.00072 70 9D+2 0.00000 0.00000 0.00000 0.00063 -0.00063 71 9D-2 0.00176 0.00292 0.00259 -0.00115 -0.00115 72 4 C 1S 0.00306 0.00401 0.00654 -0.00070 -0.00321 73 2S 0.00644 0.00902 0.01277 -0.00159 -0.00694 74 3S -0.01039 -0.01646 -0.01699 0.00402 0.01050 75 4S -0.01646 -0.02509 -0.02983 0.00216 0.02240 76 5S -0.01699 -0.02983 -0.01965 0.00774 0.02086 77 6PX -0.00402 -0.00216 -0.00774 -0.00022 0.00719 78 6PY 0.01050 0.02240 0.02086 -0.00719 -0.00784 79 6PZ -0.00402 -0.00216 -0.00774 -0.00350 0.00719 80 7PX -0.00133 0.00223 -0.00219 -0.00279 0.00502 81 7PY 0.00820 0.01656 0.01528 -0.00443 -0.00372 82 7PZ -0.00133 0.00223 -0.00219 -0.00601 0.00502 83 8PX 0.00084 0.00550 0.00793 0.00081 -0.00357 84 8PY 0.00624 0.01278 0.01026 -0.00728 0.00518 85 8PZ 0.00084 0.00550 0.00793 -0.00472 -0.00357 86 9D 0 0.00085 0.00139 0.00144 -0.00135 0.00005 87 9D+1 0.00176 0.00292 0.00259 -0.00115 -0.00120 88 9D-1 0.00015 0.00007 -0.00020 -0.00067 0.00128 89 9D+2 0.00146 0.00241 0.00249 -0.00107 0.00009 90 9D-2 0.00015 0.00007 -0.00020 -0.00072 0.00128 91 5 C 1S 0.00306 0.00401 0.00654 -0.00321 -0.00070 92 2S 0.00644 0.00902 0.01277 -0.00694 -0.00159 93 3S -0.01039 -0.01646 -0.01699 0.01050 0.00402 94 4S -0.01646 -0.02509 -0.02983 0.02240 0.00216 95 5S -0.01699 -0.02983 -0.01965 0.02086 0.00774 96 6PX 0.01050 0.02240 0.02086 -0.00784 -0.00719 97 6PY -0.00402 -0.00216 -0.00774 0.00719 -0.00022 98 6PZ -0.00402 -0.00216 -0.00774 0.00719 -0.00350 99 7PX 0.00820 0.01656 0.01528 -0.00372 -0.00443 100 7PY -0.00133 0.00223 -0.00219 0.00502 -0.00279 101 7PZ -0.00133 0.00223 -0.00219 0.00502 -0.00601 102 8PX 0.00624 0.01278 0.01026 0.00518 -0.00728 103 8PY 0.00084 0.00550 0.00793 -0.00357 0.00081 104 8PZ 0.00084 0.00550 0.00793 -0.00357 -0.00472 105 9D 0 0.00085 0.00139 0.00144 0.00005 -0.00135 106 9D+1 0.00015 0.00007 -0.00020 0.00128 -0.00067 107 9D-1 0.00176 0.00292 0.00259 -0.00120 -0.00115 108 9D+2 -0.00146 -0.00241 -0.00249 -0.00009 0.00107 109 9D-2 0.00015 0.00007 -0.00020 0.00128 -0.00072 110 6 O 1S -0.00716 0.01018 -0.00329 -0.01445 -0.01445 111 2S -0.01709 0.02775 -0.00236 -0.03432 -0.03432 112 3S 0.02331 -0.05687 -0.01341 0.05514 0.05514 113 4S 0.00062 -0.08354 -0.00963 0.04632 0.04632 114 5S -0.08612 -0.12949 -0.03477 0.01245 0.01245 115 6PX -0.09111 -0.03281 0.02514 0.04330 -0.14831 116 6PY -0.09111 -0.03281 0.02514 -0.14831 0.04330 117 6PZ -0.09111 -0.03281 0.02514 -0.14831 -0.14831 118 7PX -0.06029 -0.01964 0.01916 0.04649 -0.11216 119 7PY -0.06029 -0.01964 0.01916 -0.11216 0.04649 120 7PZ -0.06029 -0.01964 0.01916 -0.11216 -0.11216 121 8PX -0.01525 0.00213 0.01280 0.02271 -0.04957 122 8PY -0.01525 0.00213 0.01280 -0.04957 0.02271 123 8PZ -0.01525 0.00213 0.01280 -0.04957 -0.04957 124 9D 0 0.00000 0.00000 0.00000 0.00495 0.00495 125 9D+1 0.00713 0.00295 -0.00108 0.00282 0.01139 126 9D-1 0.00713 0.00295 -0.00108 0.01139 0.00282 127 9D+2 0.00000 0.00000 0.00000 -0.00857 0.00857 128 9D-2 0.00713 0.00295 -0.00108 0.00282 0.00282 129 7 O 1S -0.00073 -0.00029 -0.00255 0.00008 0.00088 130 2S -0.00165 -0.00119 -0.00459 0.00018 0.00212 131 3S 0.00256 0.00348 0.00388 -0.00005 -0.00411 132 4S 0.00357 0.00495 0.00387 -0.00204 -0.00244 133 5S 0.00389 0.01022 0.00959 -0.00207 -0.01357 134 6PX -0.00295 -0.00369 -0.00215 0.00257 -0.00387 135 6PY -0.01395 -0.01908 -0.02280 0.00911 0.00516 136 6PZ -0.00295 -0.00369 -0.00215 0.00710 -0.00387 137 7PX -0.00285 -0.00330 -0.00218 0.00178 -0.00279 138 7PY -0.01165 -0.01627 -0.01863 0.00829 0.00409 139 7PZ -0.00285 -0.00330 -0.00218 0.00543 -0.00279 140 8PX -0.00238 -0.00406 -0.00422 0.00096 -0.00292 141 8PY -0.01003 -0.01723 -0.01795 0.00855 0.00210 142 8PZ -0.00238 -0.00406 -0.00422 0.00603 -0.00292 143 9D 0 -0.00010 0.00008 -0.00009 0.00001 -0.00002 144 9D+1 0.00000 0.00024 0.00018 -0.00003 -0.00013 145 9D-1 -0.00018 -0.00011 -0.00034 0.00005 0.00010 146 9D+2 -0.00018 0.00013 -0.00016 0.00003 -0.00004 147 9D-2 -0.00018 -0.00011 -0.00034 0.00005 0.00010 148 8 O 1S -0.00073 -0.00029 -0.00255 0.00088 0.00008 149 2S -0.00165 -0.00119 -0.00459 0.00212 0.00018 150 3S 0.00256 0.00348 0.00388 -0.00411 -0.00005 151 4S 0.00357 0.00495 0.00387 -0.00244 -0.00204 152 5S 0.00389 0.01022 0.00959 -0.01357 -0.00207 153 6PX -0.01395 -0.01908 -0.02280 0.00516 0.00911 154 6PY -0.00295 -0.00369 -0.00215 -0.00387 0.00257 155 6PZ -0.00295 -0.00369 -0.00215 -0.00387 0.00710 156 7PX -0.01165 -0.01627 -0.01863 0.00409 0.00829 157 7PY -0.00285 -0.00330 -0.00218 -0.00279 0.00178 158 7PZ -0.00285 -0.00330 -0.00218 -0.00279 0.00543 159 8PX -0.01003 -0.01723 -0.01795 0.00210 0.00855 160 8PY -0.00238 -0.00406 -0.00422 -0.00292 0.00096 161 8PZ -0.00238 -0.00406 -0.00422 -0.00292 0.00603 162 9D 0 -0.00010 0.00008 -0.00009 -0.00002 0.00001 163 9D+1 -0.00018 -0.00011 -0.00034 0.00010 0.00005 164 9D-1 0.00000 0.00024 0.00018 -0.00013 -0.00003 165 9D+2 0.00018 -0.00013 0.00016 0.00004 -0.00003 166 9D-2 -0.00018 -0.00011 -0.00034 0.00010 0.00005 167 9 O 1S -0.00073 -0.00029 -0.00255 0.00008 0.00008 168 2S -0.00165 -0.00119 -0.00459 0.00018 0.00018 169 3S 0.00256 0.00348 0.00388 -0.00005 -0.00005 170 4S 0.00357 0.00495 0.00387 -0.00204 -0.00204 171 5S 0.00389 0.01022 0.00959 -0.00207 -0.00207 172 6PX -0.00295 -0.00369 -0.00215 0.00257 0.00710 173 6PY -0.00295 -0.00369 -0.00215 0.00710 0.00257 174 6PZ -0.01395 -0.01908 -0.02280 0.00911 0.00911 175 7PX -0.00285 -0.00330 -0.00218 0.00178 0.00543 176 7PY -0.00285 -0.00330 -0.00218 0.00543 0.00178 177 7PZ -0.01165 -0.01627 -0.01863 0.00829 0.00829 178 8PX -0.00238 -0.00406 -0.00422 0.00096 0.00603 179 8PY -0.00238 -0.00406 -0.00422 0.00603 0.00096 180 8PZ -0.01003 -0.01723 -0.01795 0.00855 0.00855 181 9D 0 0.00021 -0.00015 0.00018 -0.00003 -0.00003 182 9D+1 -0.00018 -0.00011 -0.00034 0.00005 0.00005 183 9D-1 -0.00018 -0.00011 -0.00034 0.00005 0.00005 184 9D+2 0.00000 0.00000 0.00000 0.00001 -0.00001 185 9D-2 0.00000 0.00024 0.00018 -0.00003 -0.00003 41 42 43 44 45 41 6PZ 0.18923 42 7PX 0.01491 0.08091 43 7PY 0.01491 0.00072 0.08091 44 7PZ 0.11838 0.00072 0.00072 0.08091 45 8PX -0.02170 0.02057 -0.01526 -0.01526 0.02088 46 8PY -0.02170 -0.01526 0.02057 -0.01526 -0.00581 47 8PZ 0.02079 -0.01526 -0.01526 0.02057 -0.00581 48 9D 0 0.01161 -0.00406 -0.00406 0.00813 -0.00027 49 9D+1 0.01157 0.00549 -0.00158 0.00549 -0.00101 50 9D-1 0.01157 -0.00158 0.00549 0.00549 -0.00161 51 9D+2 0.00000 0.00704 -0.00704 0.00000 0.00046 52 9D-2 0.00145 0.00549 0.00549 -0.00158 -0.00101 53 3 C 1S -0.00321 0.00035 0.00035 -0.00233 0.00141 54 2S -0.00694 0.00039 0.00039 -0.00518 0.00223 55 3S 0.01050 0.00133 0.00133 0.00820 -0.00084 56 4S 0.02240 -0.00223 -0.00223 0.01656 -0.00550 57 5S 0.02086 0.00219 0.00219 0.01528 -0.00793 58 6PX 0.00719 -0.00279 -0.00601 0.00443 0.00081 59 6PY 0.00719 -0.00601 -0.00279 0.00443 -0.00472 60 6PZ -0.00784 -0.00502 -0.00502 -0.00372 0.00357 61 7PX 0.00502 -0.00333 -0.00617 0.00398 0.00152 62 7PY 0.00502 -0.00617 -0.00333 0.00398 -0.00318 63 7PZ -0.00372 -0.00398 -0.00398 -0.00132 0.00163 64 8PX -0.00357 0.00152 -0.00318 -0.00163 0.00687 65 8PY -0.00357 -0.00318 0.00152 -0.00163 -0.00048 66 8PZ 0.00518 -0.00642 -0.00642 0.00667 -0.00233 67 9D 0 -0.00010 0.00074 0.00074 -0.00090 0.00010 68 9D+1 0.00128 -0.00061 -0.00072 0.00119 -0.00094 69 9D-1 0.00128 -0.00072 -0.00061 0.00119 -0.00098 70 9D+2 0.00000 0.00048 -0.00048 0.00000 0.00070 71 9D-2 -0.00120 -0.00033 -0.00033 -0.00035 0.00059 72 4 C 1S -0.00070 0.00035 -0.00233 0.00035 0.00141 73 2S -0.00159 0.00039 -0.00518 0.00039 0.00223 74 3S 0.00402 0.00133 0.00820 0.00133 -0.00084 75 4S 0.00216 -0.00223 0.01656 -0.00223 -0.00550 76 5S 0.00774 0.00219 0.01528 0.00219 -0.00793 77 6PX -0.00350 -0.00279 0.00443 -0.00601 0.00081 78 6PY -0.00719 -0.00502 -0.00372 -0.00502 0.00357 79 6PZ -0.00022 -0.00601 0.00443 -0.00279 -0.00472 80 7PX -0.00601 -0.00333 0.00398 -0.00617 0.00152 81 7PY -0.00443 -0.00398 -0.00132 -0.00398 0.00163 82 7PZ -0.00279 -0.00617 0.00398 -0.00333 -0.00318 83 8PX -0.00472 0.00152 -0.00163 -0.00318 0.00687 84 8PY -0.00728 -0.00642 0.00667 -0.00642 -0.00233 85 8PZ 0.00081 -0.00318 -0.00163 0.00152 -0.00048 86 9D 0 -0.00026 -0.00079 0.00045 0.00004 -0.00066 87 9D+1 -0.00115 -0.00033 -0.00035 -0.00033 0.00059 88 9D-1 -0.00072 -0.00072 0.00119 -0.00061 -0.00098 89 9D+2 -0.00170 -0.00041 0.00078 -0.00088 0.00027 90 9D-2 -0.00067 -0.00061 0.00119 -0.00072 -0.00094 91 5 C 1S -0.00070 -0.00233 0.00035 0.00035 -0.00225 92 2S -0.00159 -0.00518 0.00039 0.00039 -0.00463 93 3S 0.00402 0.00820 0.00133 0.00133 0.00624 94 4S 0.00216 0.01656 -0.00223 -0.00223 0.01278 95 5S 0.00774 0.01528 0.00219 0.00219 0.01026 96 6PX -0.00719 -0.00372 -0.00502 -0.00502 0.00518 97 6PY -0.00350 0.00443 -0.00279 -0.00601 0.00728 98 6PZ -0.00022 0.00443 -0.00601 -0.00279 0.00728 99 7PX -0.00443 -0.00132 -0.00398 -0.00398 0.00667 100 7PY -0.00601 0.00398 -0.00333 -0.00617 0.00642 101 7PZ -0.00279 0.00398 -0.00617 -0.00333 0.00642 102 8PX -0.00728 0.00667 -0.00642 -0.00642 0.01488 103 8PY -0.00472 -0.00163 0.00152 -0.00318 0.00233 104 8PZ 0.00081 -0.00163 -0.00318 0.00152 0.00233 105 9D 0 -0.00026 0.00045 -0.00079 0.00004 0.00106 106 9D+1 -0.00072 0.00119 -0.00072 -0.00061 0.00148 107 9D-1 -0.00115 -0.00035 -0.00033 -0.00033 0.00036 108 9D+2 0.00170 -0.00078 0.00041 0.00088 -0.00184 109 9D-2 -0.00067 0.00119 -0.00061 -0.00072 0.00148 110 6 O 1S -0.01445 -0.00192 -0.00192 -0.00192 -0.00315 111 2S -0.03432 -0.00534 -0.00534 -0.00534 -0.00530 112 3S 0.05514 0.01208 0.01208 0.01208 0.00200 113 4S 0.04632 0.00422 0.00422 0.00422 0.00691 114 5S 0.01245 0.00371 0.00371 0.00371 0.00177 115 6PX -0.14831 0.05479 -0.08403 -0.08403 0.03060 116 6PY -0.14831 -0.08403 0.05479 -0.08403 0.00272 117 6PZ 0.04330 -0.08403 -0.08403 0.05479 0.00272 118 7PX -0.11216 0.04987 -0.06514 -0.06514 0.02408 119 7PY -0.11216 -0.06514 0.04987 -0.06514 0.00073 120 7PZ 0.04649 -0.06514 -0.06514 0.04987 0.00073 121 8PX -0.04957 0.02006 -0.02946 -0.02946 0.00347 122 8PY -0.04957 -0.02946 0.02006 -0.02946 0.00434 123 8PZ 0.02271 -0.02946 -0.02946 0.02006 0.00434 124 9D 0 -0.00989 0.00368 0.00368 -0.00736 0.00112 125 9D+1 0.00282 0.00013 0.00651 0.00013 -0.00130 126 9D-1 0.00282 0.00651 0.00013 0.00013 0.00064 127 9D+2 0.00000 -0.00638 0.00638 0.00000 -0.00193 128 9D-2 0.01139 0.00013 0.00013 0.00651 -0.00130 129 7 O 1S 0.00008 -0.00023 0.00023 -0.00023 -0.00017 130 2S 0.00018 -0.00055 0.00075 -0.00055 -0.00051 131 3S -0.00005 0.00113 -0.00231 0.00113 0.00138 132 4S -0.00204 -0.00036 -0.00095 -0.00036 0.00035 133 5S -0.00207 0.00082 -0.01057 0.00082 0.00610 134 6PX 0.00710 0.00153 -0.00454 0.00445 0.00142 135 6PY 0.00911 0.00100 -0.00285 0.00100 -0.00172 136 6PZ 0.00257 0.00445 -0.00454 0.00153 0.00605 137 7PX 0.00543 0.00092 -0.00354 0.00326 0.00099 138 7PY 0.00829 0.00142 -0.00237 0.00142 -0.00118 139 7PZ 0.00178 0.00326 -0.00354 0.00092 0.00475 140 8PX 0.00603 0.00046 -0.00398 0.00420 -0.00118 141 8PY 0.00855 0.00376 -0.00292 0.00376 -0.00096 142 8PZ 0.00096 0.00420 -0.00398 0.00046 0.00468 143 9D 0 0.00002 -0.00015 -0.00011 -0.00008 -0.00001 144 9D+1 -0.00003 -0.00008 -0.00010 -0.00008 0.00017 145 9D-1 0.00005 -0.00011 -0.00007 -0.00014 -0.00004 146 9D+2 0.00003 -0.00018 -0.00018 -0.00022 0.00015 147 9D-2 0.00005 -0.00014 -0.00007 -0.00011 -0.00011 148 8 O 1S 0.00008 0.00023 -0.00023 -0.00023 0.00045 149 2S 0.00018 0.00075 -0.00055 -0.00055 0.00109 150 3S -0.00005 -0.00231 0.00113 0.00113 -0.00216 151 4S -0.00204 -0.00095 -0.00036 -0.00036 -0.00156 152 5S -0.00207 -0.01057 0.00082 0.00082 -0.00926 153 6PX 0.00911 -0.00285 0.00100 0.00100 -0.00867 154 6PY 0.00710 -0.00454 0.00153 0.00445 -0.00682 155 6PZ 0.00257 -0.00454 0.00445 0.00153 -0.00682 156 7PX 0.00829 -0.00237 0.00142 0.00142 -0.00705 157 7PY 0.00543 -0.00354 0.00092 0.00326 -0.00556 158 7PZ 0.00178 -0.00354 0.00326 0.00092 -0.00556 159 8PX 0.00855 -0.00292 0.00376 0.00376 -0.01031 160 8PY 0.00603 -0.00398 0.00046 0.00420 -0.00709 161 8PZ 0.00096 -0.00398 0.00420 0.00046 -0.00709 162 9D 0 0.00002 -0.00011 -0.00015 -0.00008 0.00000 163 9D+1 0.00005 -0.00007 -0.00011 -0.00014 -0.00001 164 9D-1 -0.00003 -0.00010 -0.00008 -0.00008 0.00003 165 9D+2 -0.00003 0.00018 0.00018 0.00022 -0.00001 166 9D-2 0.00005 -0.00007 -0.00014 -0.00011 -0.00001 167 9 O 1S 0.00088 -0.00023 -0.00023 0.00023 -0.00017 168 2S 0.00212 -0.00055 -0.00055 0.00075 -0.00051 169 3S -0.00411 0.00113 0.00113 -0.00231 0.00138 170 4S -0.00244 -0.00036 -0.00036 -0.00095 0.00035 171 5S -0.01357 0.00082 0.00082 -0.01057 0.00610 172 6PX -0.00387 0.00153 0.00445 -0.00454 0.00142 173 6PY -0.00387 0.00445 0.00153 -0.00454 0.00605 174 6PZ 0.00516 0.00100 0.00100 -0.00285 -0.00172 175 7PX -0.00279 0.00092 0.00326 -0.00354 0.00099 176 7PY -0.00279 0.00326 0.00092 -0.00354 0.00475 177 7PZ 0.00409 0.00142 0.00142 -0.00237 -0.00118 178 8PX -0.00292 0.00046 0.00420 -0.00398 -0.00118 179 8PY -0.00292 0.00420 0.00046 -0.00398 0.00468 180 8PZ 0.00210 0.00376 0.00376 -0.00292 -0.00096 181 9D 0 0.00004 0.00023 0.00023 0.00021 -0.00012 182 9D+1 0.00010 -0.00014 -0.00011 -0.00007 -0.00011 183 9D-1 0.00010 -0.00011 -0.00014 -0.00007 -0.00004 184 9D+2 0.00000 0.00004 -0.00004 0.00000 0.00008 185 9D-2 -0.00013 -0.00008 -0.00008 -0.00010 0.00017 46 47 48 49 50 46 8PY 0.02088 47 8PZ -0.00581 0.02088 48 9D 0 -0.00027 0.00054 0.00261 49 9D+1 -0.00161 -0.00101 0.00074 0.00197 50 9D-1 -0.00101 -0.00101 0.00074 0.00066 0.00197 51 9D+2 -0.00046 0.00000 0.00000 0.00129 -0.00129 52 9D-2 -0.00101 -0.00161 -0.00149 0.00066 0.00066 53 3 C 1S 0.00141 -0.00225 0.00049 0.00009 0.00009 54 2S 0.00223 -0.00463 0.00105 0.00015 0.00015 55 3S -0.00084 0.00624 -0.00169 -0.00015 -0.00015 56 4S -0.00550 0.01278 -0.00278 -0.00007 -0.00007 57 5S -0.00793 0.01026 -0.00288 0.00020 0.00020 58 6PX -0.00472 0.00728 -0.00160 -0.00072 -0.00067 59 6PY 0.00081 0.00728 -0.00160 -0.00067 -0.00072 60 6PZ 0.00357 0.00518 -0.00010 -0.00128 -0.00128 61 7PX -0.00318 0.00642 -0.00074 -0.00061 -0.00072 62 7PY 0.00152 0.00642 -0.00074 -0.00072 -0.00061 63 7PZ 0.00163 0.00667 -0.00090 -0.00119 -0.00119 64 8PX -0.00048 0.00233 -0.00010 -0.00094 -0.00098 65 8PY 0.00687 0.00233 -0.00010 -0.00098 -0.00094 66 8PZ -0.00233 0.01488 -0.00212 -0.00148 -0.00148 67 9D 0 0.00010 -0.00212 0.00020 0.00027 0.00027 68 9D+1 -0.00098 0.00148 -0.00027 -0.00008 -0.00002 69 9D-1 -0.00094 0.00148 -0.00027 -0.00002 -0.00008 70 9D+2 -0.00070 0.00000 0.00000 0.00001 -0.00001 71 9D-2 0.00059 0.00036 0.00010 -0.00016 -0.00016 72 4 C 1S -0.00225 0.00141 -0.00025 -0.00054 0.00009 73 2S -0.00463 0.00223 -0.00053 -0.00113 0.00015 74 3S 0.00624 -0.00084 0.00085 0.00176 -0.00015 75 4S 0.01278 -0.00550 0.00139 0.00292 -0.00007 76 5S 0.01026 -0.00793 0.00144 0.00259 0.00020 77 6PX 0.00728 -0.00472 0.00135 0.00115 -0.00067 78 6PY 0.00518 0.00357 0.00005 -0.00120 -0.00128 79 6PZ 0.00728 0.00081 0.00026 0.00115 -0.00072 80 7PX 0.00642 -0.00318 0.00079 0.00033 -0.00072 81 7PY 0.00667 0.00163 0.00045 -0.00035 -0.00119 82 7PZ 0.00642 0.00152 -0.00004 0.00033 -0.00061 83 8PX 0.00233 -0.00048 0.00066 -0.00059 -0.00098 84 8PY 0.01488 -0.00233 0.00106 0.00036 -0.00148 85 8PZ 0.00233 0.00687 -0.00056 -0.00059 -0.00094 86 9D 0 0.00106 0.00056 -0.00004 -0.00005 -0.00013 87 9D+1 0.00036 0.00059 -0.00005 -0.00019 -0.00016 88 9D-1 0.00148 -0.00094 0.00013 0.00016 -0.00008 89 9D+2 0.00184 -0.00043 0.00014 -0.00008 -0.00024 90 9D-2 0.00148 -0.00098 0.00014 0.00016 -0.00002 91 5 C 1S 0.00141 0.00141 -0.00025 0.00009 -0.00054 92 2S 0.00223 0.00223 -0.00053 0.00015 -0.00113 93 3S -0.00084 -0.00084 0.00085 -0.00015 0.00176 94 4S -0.00550 -0.00550 0.00139 -0.00007 0.00292 95 5S -0.00793 -0.00793 0.00144 0.00020 0.00259 96 6PX 0.00357 0.00357 0.00005 -0.00128 -0.00120 97 6PY 0.00081 -0.00472 0.00135 -0.00067 0.00115 98 6PZ -0.00472 0.00081 0.00026 -0.00072 0.00115 99 7PX 0.00163 0.00163 0.00045 -0.00119 -0.00035 100 7PY 0.00152 -0.00318 0.00079 -0.00072 0.00033 101 7PZ -0.00318 0.00152 -0.00004 -0.00061 0.00033 102 8PX -0.00233 -0.00233 0.00106 -0.00148 0.00036 103 8PY 0.00687 -0.00048 0.00066 -0.00098 -0.00059 104 8PZ -0.00048 0.00687 -0.00056 -0.00094 -0.00059 105 9D 0 -0.00066 0.00056 -0.00004 -0.00013 -0.00005 106 9D+1 -0.00098 -0.00094 0.00013 -0.00008 0.00016 107 9D-1 0.00059 0.00059 -0.00005 -0.00016 -0.00019 108 9D+2 -0.00027 0.00043 -0.00014 0.00024 0.00008 109 9D-2 -0.00094 -0.00098 0.00014 -0.00002 0.00016 110 6 O 1S -0.00315 -0.00315 0.00000 -0.00246 -0.00246 111 2S -0.00530 -0.00530 0.00000 -0.00575 -0.00575 112 3S 0.00200 0.00200 0.00000 0.00863 0.00863 113 4S 0.00691 0.00691 0.00000 0.00834 0.00834 114 5S 0.00177 0.00177 0.00000 0.00158 0.00158 115 6PX 0.00272 0.00272 -0.01210 -0.00228 -0.02315 116 6PY 0.03060 0.00272 -0.01210 -0.02315 -0.00228 117 6PZ 0.00272 0.03060 0.02420 -0.00228 -0.00228 118 7PX 0.00073 0.00073 -0.00999 -0.00064 -0.01787 119 7PY 0.02408 0.00073 -0.00999 -0.01787 -0.00064 120 7PZ 0.00073 0.02408 0.01998 -0.00064 -0.00064 121 8PX 0.00434 0.00434 -0.00591 0.00101 -0.00911 122 8PY 0.00347 0.00434 -0.00591 -0.00911 0.00101 123 8PZ 0.00434 0.00347 0.01181 0.00101 0.00101 124 9D 0 0.00112 -0.00223 -0.00159 -0.00046 -0.00046 125 9D+1 0.00064 -0.00130 -0.00046 0.00015 0.00095 126 9D-1 -0.00130 -0.00130 -0.00046 0.00095 0.00015 127 9D+2 0.00193 0.00000 0.00000 -0.00080 0.00080 128 9D-2 -0.00130 0.00064 0.00092 0.00095 0.00095 129 7 O 1S 0.00045 -0.00017 0.00007 0.00015 0.00004 130 2S 0.00109 -0.00051 0.00018 0.00034 0.00008 131 3S -0.00216 0.00138 -0.00030 -0.00056 -0.00006 132 4S -0.00156 0.00035 -0.00044 -0.00074 0.00000 133 5S -0.00926 0.00610 -0.00109 -0.00185 -0.00030 134 6PX -0.00682 0.00605 -0.00090 -0.00032 0.00063 135 6PY -0.00867 -0.00172 -0.00014 0.00125 0.00128 136 6PZ -0.00682 0.00142 -0.00016 -0.00032 0.00058 137 7PX -0.00556 0.00475 -0.00077 -0.00029 0.00050 138 7PY -0.00705 -0.00118 -0.00006 0.00110 0.00105 139 7PZ -0.00556 0.00099 -0.00015 -0.00029 0.00047 140 8PX -0.00709 0.00468 -0.00098 -0.00021 0.00080 141 8PY -0.01031 -0.00096 -0.00043 0.00074 0.00153 142 8PZ -0.00709 -0.00118 -0.00007 -0.00021 0.00067 143 9D 0 0.00000 0.00013 -0.00001 0.00001 -0.00002 144 9D+1 0.00003 0.00017 -0.00001 -0.00002 -0.00001 145 9D-1 -0.00001 -0.00011 0.00002 0.00003 0.00000 146 9D+2 0.00001 0.00007 0.00002 0.00002 -0.00002 147 9D-2 -0.00001 -0.00004 0.00001 0.00003 -0.00001 148 8 O 1S -0.00017 -0.00017 0.00007 0.00004 0.00015 149 2S -0.00051 -0.00051 0.00018 0.00008 0.00034 150 3S 0.00138 0.00138 -0.00030 -0.00006 -0.00056 151 4S 0.00035 0.00035 -0.00044 0.00000 -0.00074 152 5S 0.00610 0.00610 -0.00109 -0.00030 -0.00185 153 6PX -0.00172 -0.00172 -0.00014 0.00128 0.00125 154 6PY 0.00142 0.00605 -0.00090 0.00063 -0.00032 155 6PZ 0.00605 0.00142 -0.00016 0.00058 -0.00032 156 7PX -0.00118 -0.00118 -0.00006 0.00105 0.00110 157 7PY 0.00099 0.00475 -0.00077 0.00050 -0.00029 158 7PZ 0.00475 0.00099 -0.00015 0.00047 -0.00029 159 8PX -0.00096 -0.00096 -0.00043 0.00153 0.00074 160 8PY -0.00118 0.00468 -0.00098 0.00080 -0.00021 161 8PZ 0.00468 -0.00118 -0.00007 0.00067 -0.00021 162 9D 0 -0.00001 0.00013 -0.00001 -0.00002 0.00001 163 9D+1 -0.00004 -0.00011 0.00002 0.00000 0.00003 164 9D-1 0.00017 0.00017 -0.00001 -0.00001 -0.00002 165 9D+2 -0.00015 -0.00007 -0.00002 0.00002 -0.00002 166 9D-2 -0.00011 -0.00004 0.00001 -0.00001 0.00003 167 9 O 1S -0.00017 0.00045 -0.00015 0.00004 0.00004 168 2S -0.00051 0.00109 -0.00036 0.00008 0.00008 169 3S 0.00138 -0.00216 0.00060 -0.00006 -0.00006 170 4S 0.00035 -0.00156 0.00087 0.00000 0.00000 171 5S 0.00610 -0.00926 0.00218 -0.00030 -0.00030 172 6PX 0.00605 -0.00682 0.00107 0.00058 0.00063 173 6PY 0.00142 -0.00682 0.00107 0.00063 0.00058 174 6PZ -0.00172 -0.00867 0.00028 0.00128 0.00128 175 7PX 0.00475 -0.00556 0.00092 0.00047 0.00050 176 7PY 0.00099 -0.00556 0.00092 0.00050 0.00047 177 7PZ -0.00118 -0.00705 0.00012 0.00105 0.00105 178 8PX 0.00468 -0.00709 0.00105 0.00067 0.00080 179 8PY -0.00118 -0.00709 0.00105 0.00080 0.00067 180 8PZ -0.00096 -0.01031 0.00086 0.00153 0.00153 181 9D 0 -0.00012 -0.00001 0.00002 0.00002 0.00002 182 9D+1 -0.00004 -0.00001 -0.00003 0.00000 -0.00001 183 9D-1 -0.00011 -0.00001 -0.00003 -0.00001 0.00000 184 9D+2 -0.00008 0.00000 0.00000 -0.00001 0.00001 185 9D-2 0.00017 0.00003 0.00001 -0.00001 -0.00001 51 52 53 54 55 51 9D+2 0.00261 52 9D-2 0.00000 0.00197 53 3 C 1S 0.00000 -0.00054 0.45858 54 2S 0.00000 -0.00113 0.61736 0.84599 55 3S 0.00000 0.00176 -0.04613 -0.12732 0.29183 56 4S 0.00000 0.00292 -0.11653 -0.22850 0.31816 57 5S 0.00000 0.00259 -0.01664 -0.04431 0.09181 58 6PX -0.00063 0.00115 -0.00661 -0.01378 0.01173 59 6PY 0.00063 0.00115 -0.00661 -0.01378 0.01173 60 6PZ 0.00000 -0.00120 0.00661 0.01378 -0.01173 61 7PX -0.00048 0.00033 -0.01057 -0.02183 0.02918 62 7PY 0.00048 0.00033 -0.01057 -0.02183 0.02918 63 7PZ 0.00000 -0.00035 0.01057 0.02183 -0.02918 64 8PX -0.00070 -0.00059 0.00218 0.00169 0.00653 65 8PY 0.00070 -0.00059 0.00218 0.00169 0.00653 66 8PZ 0.00000 0.00036 -0.00218 -0.00169 -0.00653 67 9D 0 0.00000 0.00010 0.00000 0.00000 0.00000 68 9D+1 -0.00001 0.00016 0.00074 0.00255 -0.00781 69 9D-1 0.00001 0.00016 0.00074 0.00255 -0.00781 70 9D+2 -0.00012 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 -0.00019 -0.00074 -0.00255 0.00781 72 4 C 1S -0.00043 0.00009 -0.00071 -0.00161 0.00306 73 2S -0.00091 0.00015 -0.00161 -0.00356 0.00644 74 3S 0.00146 -0.00015 0.00306 0.00644 -0.01039 75 4S 0.00241 -0.00007 0.00401 0.00902 -0.01646 76 5S 0.00249 0.00020 0.00654 0.01277 -0.01699 77 6PX 0.00107 -0.00072 0.00321 0.00694 -0.01050 78 6PY 0.00009 -0.00128 -0.00070 -0.00159 0.00402 79 6PZ 0.00170 -0.00067 0.00070 0.00159 -0.00402 80 7PX 0.00041 -0.00061 0.00233 0.00518 -0.00820 81 7PY 0.00078 -0.00119 0.00035 0.00039 0.00133 82 7PZ 0.00088 -0.00072 -0.00035 -0.00039 -0.00133 83 8PX -0.00027 -0.00094 0.00225 0.00463 -0.00624 84 8PY 0.00184 -0.00148 0.00141 0.00223 -0.00084 85 8PZ 0.00043 -0.00098 -0.00141 -0.00223 0.00084 86 9D 0 0.00014 -0.00014 -0.00025 -0.00053 0.00085 87 9D+1 -0.00008 -0.00016 0.00009 0.00015 -0.00015 88 9D-1 0.00024 -0.00002 0.00054 0.00113 -0.00176 89 9D+2 0.00012 -0.00023 0.00043 0.00091 -0.00146 90 9D-2 0.00023 -0.00008 -0.00009 -0.00015 0.00015 91 5 C 1S 0.00043 0.00009 -0.00071 -0.00161 0.00306 92 2S 0.00091 0.00015 -0.00161 -0.00356 0.00644 93 3S -0.00146 -0.00015 0.00306 0.00644 -0.01039 94 4S -0.00241 -0.00007 0.00401 0.00902 -0.01646 95 5S -0.00249 0.00020 0.00654 0.01277 -0.01699 96 6PX -0.00009 -0.00128 -0.00070 -0.00159 0.00402 97 6PY -0.00107 -0.00072 0.00321 0.00694 -0.01050 98 6PZ -0.00170 -0.00067 0.00070 0.00159 -0.00402 99 7PX -0.00078 -0.00119 0.00035 0.00039 0.00133 100 7PY -0.00041 -0.00061 0.00233 0.00518 -0.00820 101 7PZ -0.00088 -0.00072 -0.00035 -0.00039 -0.00133 102 8PX -0.00184 -0.00148 0.00141 0.00223 -0.00084 103 8PY 0.00027 -0.00094 0.00225 0.00463 -0.00624 104 8PZ -0.00043 -0.00098 -0.00141 -0.00223 0.00084 105 9D 0 -0.00014 -0.00014 -0.00025 -0.00053 0.00085 106 9D+1 -0.00024 -0.00002 0.00054 0.00113 -0.00176 107 9D-1 0.00008 -0.00016 0.00009 0.00015 -0.00015 108 9D+2 0.00012 0.00023 -0.00043 -0.00091 0.00146 109 9D-2 -0.00023 -0.00008 -0.00009 -0.00015 0.00015 110 6 O 1S 0.00000 -0.00246 0.00015 0.00034 -0.00073 111 2S 0.00000 -0.00575 0.00037 0.00082 -0.00165 112 3S 0.00000 0.00863 -0.00069 -0.00147 0.00256 113 4S 0.00000 0.00834 -0.00075 -0.00179 0.00357 114 5S 0.00000 0.00158 -0.00269 -0.00461 0.00389 115 6PX 0.02095 -0.00228 -0.00079 -0.00175 0.00295 116 6PY -0.02095 -0.00228 -0.00079 -0.00175 0.00295 117 6PZ 0.00000 -0.02315 0.00341 0.00760 -0.01395 118 7PX 0.01730 -0.00064 -0.00056 -0.00139 0.00285 119 7PY -0.01730 -0.00064 -0.00056 -0.00139 0.00285 120 7PZ 0.00000 -0.01787 0.00286 0.00638 -0.01165 121 8PX 0.01023 0.00101 -0.00084 -0.00170 0.00238 122 8PY -0.01023 0.00101 -0.00084 -0.00170 0.00238 123 8PZ 0.00000 -0.00911 0.00329 0.00676 -0.01003 124 9D 0 0.00000 0.00092 -0.00002 -0.00005 0.00021 125 9D+1 -0.00079 0.00095 -0.00005 -0.00009 0.00018 126 9D-1 0.00079 0.00095 -0.00005 -0.00009 0.00018 127 9D+2 -0.00159 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00015 -0.00003 -0.00004 0.00000 129 7 O 1S 0.00013 0.00004 0.00015 0.00034 -0.00073 130 2S 0.00031 0.00008 0.00037 0.00082 -0.00165 131 3S -0.00052 -0.00006 -0.00069 -0.00147 0.00256 132 4S -0.00076 0.00000 -0.00075 -0.00179 0.00357 133 5S -0.00189 -0.00030 -0.00269 -0.00461 0.00389 134 6PX -0.00071 0.00058 -0.00341 -0.00760 0.01395 135 6PY -0.00024 0.00128 -0.00079 -0.00175 0.00295 136 6PZ -0.00114 0.00063 0.00079 0.00175 -0.00295 137 7PX -0.00062 0.00047 -0.00286 -0.00638 0.01165 138 7PY -0.00011 0.00105 -0.00056 -0.00139 0.00285 139 7PZ -0.00098 0.00050 0.00056 0.00139 -0.00285 140 8PX -0.00064 0.00067 -0.00329 -0.00676 0.01003 141 8PY -0.00074 0.00153 -0.00084 -0.00170 0.00238 142 8PZ -0.00117 0.00080 0.00084 0.00170 -0.00238 143 9D 0 0.00002 -0.00001 0.00001 0.00003 -0.00010 144 9D+1 -0.00001 -0.00001 -0.00005 -0.00009 0.00018 145 9D-1 0.00002 -0.00001 0.00003 0.00004 0.00000 146 9D+2 0.00001 -0.00002 -0.00002 -0.00005 0.00018 147 9D-2 0.00003 0.00000 0.00005 0.00009 -0.00018 148 8 O 1S -0.00013 0.00004 0.00015 0.00034 -0.00073 149 2S -0.00031 0.00008 0.00037 0.00082 -0.00165 150 3S 0.00052 -0.00006 -0.00069 -0.00147 0.00256 151 4S 0.00076 0.00000 -0.00075 -0.00179 0.00357 152 5S 0.00189 -0.00030 -0.00269 -0.00461 0.00389 153 6PX 0.00024 0.00128 -0.00079 -0.00175 0.00295 154 6PY 0.00071 0.00058 -0.00341 -0.00760 0.01395 155 6PZ 0.00114 0.00063 0.00079 0.00175 -0.00295 156 7PX 0.00011 0.00105 -0.00056 -0.00139 0.00285 157 7PY 0.00062 0.00047 -0.00286 -0.00638 0.01165 158 7PZ 0.00098 0.00050 0.00056 0.00139 -0.00285 159 8PX 0.00074 0.00153 -0.00084 -0.00170 0.00238 160 8PY 0.00064 0.00067 -0.00329 -0.00676 0.01003 161 8PZ 0.00117 0.00080 0.00084 0.00170 -0.00238 162 9D 0 -0.00002 -0.00001 0.00001 0.00003 -0.00010 163 9D+1 -0.00002 -0.00001 0.00003 0.00004 0.00000 164 9D-1 0.00001 -0.00001 -0.00005 -0.00009 0.00018 165 9D+2 0.00001 0.00002 0.00002 0.00005 -0.00018 166 9D-2 -0.00003 0.00000 0.00005 0.00009 -0.00018 167 9 O 1S 0.00000 0.00015 0.00308 0.00592 -0.00716 168 2S 0.00000 0.00034 0.00692 0.01328 -0.01709 169 3S 0.00000 -0.00056 -0.00693 -0.01408 0.02331 170 4S 0.00000 -0.00074 -0.01252 -0.01702 0.00062 171 5S 0.00000 -0.00185 0.03116 0.06048 -0.08612 172 6PX 0.00043 -0.00032 -0.02301 -0.04868 0.09111 173 6PY -0.00043 -0.00032 -0.02301 -0.04868 0.09111 174 6PZ 0.00000 0.00125 0.02301 0.04868 -0.09111 175 7PX 0.00036 -0.00029 -0.01758 -0.03523 0.06029 176 7PY -0.00036 -0.00029 -0.01758 -0.03523 0.06029 177 7PZ 0.00000 0.00110 0.01758 0.03523 -0.06029 178 8PX 0.00053 -0.00021 -0.00149 -0.00465 0.01525 179 8PY -0.00053 -0.00021 -0.00149 -0.00465 0.01525 180 8PZ 0.00000 0.00074 0.00149 0.00465 -0.01525 181 9D 0 0.00000 -0.00002 0.00000 0.00000 0.00000 182 9D+1 0.00001 0.00003 0.00264 0.00497 -0.00713 183 9D-1 -0.00001 0.00003 0.00264 0.00497 -0.00713 184 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 -0.00002 -0.00264 -0.00497 0.00713 56 57 58 59 60 56 4S 0.43895 57 5S 0.14954 0.07254 58 6PX 0.10037 0.05782 0.18923 59 6PY 0.10037 0.05782 0.05424 0.18923 60 6PZ -0.10037 -0.05782 -0.05424 -0.05424 0.18923 61 7PX 0.07342 0.03509 0.11838 0.01491 -0.01491 62 7PY 0.07342 0.03509 0.01491 0.11838 -0.01491 63 7PZ -0.07342 -0.03509 -0.01491 -0.01491 0.11838 64 8PX -0.00077 -0.00656 0.02079 -0.02170 0.02170 65 8PY -0.00077 -0.00656 -0.02170 0.02079 0.02170 66 8PZ 0.00077 0.00656 0.02170 0.02170 0.02079 67 9D 0 0.00000 0.00000 0.00580 0.00580 0.01161 68 9D+1 -0.00019 0.00323 0.01157 0.00145 -0.01157 69 9D-1 -0.00019 0.00323 0.00145 0.01157 -0.01157 70 9D+2 0.00000 0.00000 -0.01005 0.01005 0.00000 71 9D-2 0.00019 -0.00323 -0.01157 -0.01157 0.00145 72 4 C 1S 0.00401 0.00654 0.00321 0.00070 -0.00070 73 2S 0.00902 0.01277 0.00694 0.00159 -0.00159 74 3S -0.01646 -0.01699 -0.01050 -0.00402 0.00402 75 4S -0.02509 -0.02983 -0.02240 -0.00216 0.00216 76 5S -0.02983 -0.01965 -0.02086 -0.00774 0.00774 77 6PX -0.02240 -0.02086 -0.00784 -0.00719 0.00719 78 6PY 0.00216 0.00774 0.00719 -0.00022 0.00350 79 6PZ -0.00216 -0.00774 -0.00719 0.00350 -0.00022 80 7PX -0.01656 -0.01528 -0.00372 -0.00443 0.00443 81 7PY -0.00223 0.00219 0.00502 -0.00279 0.00601 82 7PZ 0.00223 -0.00219 -0.00502 0.00601 -0.00279 83 8PX -0.01278 -0.01026 0.00518 -0.00728 0.00728 84 8PY -0.00550 -0.00793 -0.00357 0.00081 0.00472 85 8PZ 0.00550 0.00793 0.00357 0.00472 0.00081 86 9D 0 0.00139 0.00144 -0.00005 0.00135 -0.00026 87 9D+1 -0.00007 0.00020 0.00128 -0.00067 0.00072 88 9D-1 -0.00292 -0.00259 -0.00120 -0.00115 0.00115 89 9D+2 -0.00241 -0.00249 0.00009 -0.00107 0.00170 90 9D-2 0.00007 -0.00020 -0.00128 0.00072 -0.00067 91 5 C 1S 0.00401 0.00654 0.00070 0.00321 -0.00070 92 2S 0.00902 0.01277 0.00159 0.00694 -0.00159 93 3S -0.01646 -0.01699 -0.00402 -0.01050 0.00402 94 4S -0.02509 -0.02983 -0.00216 -0.02240 0.00216 95 5S -0.02983 -0.01965 -0.00774 -0.02086 0.00774 96 6PX 0.00216 0.00774 -0.00022 0.00719 0.00350 97 6PY -0.02240 -0.02086 -0.00719 -0.00784 0.00719 98 6PZ -0.00216 -0.00774 0.00350 -0.00719 -0.00022 99 7PX -0.00223 0.00219 -0.00279 0.00502 0.00601 100 7PY -0.01656 -0.01528 -0.00443 -0.00372 0.00443 101 7PZ 0.00223 -0.00219 0.00601 -0.00502 -0.00279 102 8PX -0.00550 -0.00793 0.00081 -0.00357 0.00472 103 8PY -0.01278 -0.01026 -0.00728 0.00518 0.00728 104 8PZ 0.00550 0.00793 0.00472 0.00357 0.00081 105 9D 0 0.00139 0.00144 0.00135 -0.00005 -0.00026 106 9D+1 -0.00292 -0.00259 -0.00115 -0.00120 0.00115 107 9D-1 -0.00007 0.00020 -0.00067 0.00128 0.00072 108 9D+2 0.00241 0.00249 0.00107 -0.00009 -0.00170 109 9D-2 0.00007 -0.00020 0.00072 -0.00128 -0.00067 110 6 O 1S -0.00029 -0.00255 -0.00008 -0.00008 0.00088 111 2S -0.00119 -0.00459 -0.00018 -0.00018 0.00212 112 3S 0.00348 0.00388 0.00005 0.00005 -0.00411 113 4S 0.00495 0.00387 0.00204 0.00204 -0.00244 114 5S 0.01022 0.00959 0.00207 0.00207 -0.01357 115 6PX 0.00369 0.00215 0.00257 0.00710 0.00387 116 6PY 0.00369 0.00215 0.00710 0.00257 0.00387 117 6PZ -0.01908 -0.02280 -0.00911 -0.00911 0.00516 118 7PX 0.00330 0.00218 0.00178 0.00543 0.00279 119 7PY 0.00330 0.00218 0.00543 0.00178 0.00279 120 7PZ -0.01627 -0.01863 -0.00829 -0.00829 0.00409 121 8PX 0.00406 0.00422 0.00096 0.00603 0.00292 122 8PY 0.00406 0.00422 0.00603 0.00096 0.00292 123 8PZ -0.01723 -0.01795 -0.00855 -0.00855 0.00210 124 9D 0 -0.00015 0.00018 0.00003 0.00003 0.00004 125 9D+1 0.00011 0.00034 0.00005 0.00005 -0.00010 126 9D-1 0.00011 0.00034 0.00005 0.00005 -0.00010 127 9D+2 0.00000 0.00000 -0.00001 0.00001 0.00000 128 9D-2 0.00024 0.00018 0.00003 0.00003 -0.00013 129 7 O 1S -0.00029 -0.00255 -0.00088 -0.00008 0.00008 130 2S -0.00119 -0.00459 -0.00212 -0.00018 0.00018 131 3S 0.00348 0.00388 0.00411 0.00005 -0.00005 132 4S 0.00495 0.00387 0.00244 0.00204 -0.00204 133 5S 0.01022 0.00959 0.01357 0.00207 -0.00207 134 6PX 0.01908 0.02280 0.00516 0.00911 -0.00911 135 6PY 0.00369 0.00215 -0.00387 0.00257 -0.00710 136 6PZ -0.00369 -0.00215 0.00387 -0.00710 0.00257 137 7PX 0.01627 0.01863 0.00409 0.00829 -0.00829 138 7PY 0.00330 0.00218 -0.00279 0.00178 -0.00543 139 7PZ -0.00330 -0.00218 0.00279 -0.00543 0.00178 140 8PX 0.01723 0.01795 0.00210 0.00855 -0.00855 141 8PY 0.00406 0.00422 -0.00292 0.00096 -0.00603 142 8PZ -0.00406 -0.00422 0.00292 -0.00603 0.00096 143 9D 0 0.00008 -0.00009 0.00002 -0.00001 0.00002 144 9D+1 0.00011 0.00034 0.00010 0.00005 -0.00005 145 9D-1 -0.00024 -0.00018 -0.00013 -0.00003 0.00003 146 9D+2 -0.00013 0.00016 -0.00004 0.00003 -0.00003 147 9D-2 -0.00011 -0.00034 -0.00010 -0.00005 0.00005 148 8 O 1S -0.00029 -0.00255 -0.00008 -0.00088 0.00008 149 2S -0.00119 -0.00459 -0.00018 -0.00212 0.00018 150 3S 0.00348 0.00388 0.00005 0.00411 -0.00005 151 4S 0.00495 0.00387 0.00204 0.00244 -0.00204 152 5S 0.01022 0.00959 0.00207 0.01357 -0.00207 153 6PX 0.00369 0.00215 0.00257 -0.00387 -0.00710 154 6PY 0.01908 0.02280 0.00911 0.00516 -0.00911 155 6PZ -0.00369 -0.00215 -0.00710 0.00387 0.00257 156 7PX 0.00330 0.00218 0.00178 -0.00279 -0.00543 157 7PY 0.01627 0.01863 0.00829 0.00409 -0.00829 158 7PZ -0.00330 -0.00218 -0.00543 0.00279 0.00178 159 8PX 0.00406 0.00422 0.00096 -0.00292 -0.00603 160 8PY 0.01723 0.01795 0.00855 0.00210 -0.00855 161 8PZ -0.00406 -0.00422 -0.00603 0.00292 0.00096 162 9D 0 0.00008 -0.00009 -0.00001 0.00002 0.00002 163 9D+1 -0.00024 -0.00018 -0.00003 -0.00013 0.00003 164 9D-1 0.00011 0.00034 0.00005 0.00010 -0.00005 165 9D+2 0.00013 -0.00016 -0.00003 0.00004 0.00003 166 9D-2 -0.00011 -0.00034 -0.00005 -0.00010 0.00005 167 9 O 1S 0.01018 -0.00329 0.01445 0.01445 -0.01445 168 2S 0.02775 -0.00236 0.03432 0.03432 -0.03432 169 3S -0.05687 -0.01341 -0.05514 -0.05514 0.05514 170 4S -0.08354 -0.00963 -0.04632 -0.04632 0.04632 171 5S -0.12949 -0.03477 -0.01245 -0.01245 0.01245 172 6PX 0.03281 -0.02514 0.04330 -0.14831 0.14831 173 6PY 0.03281 -0.02514 -0.14831 0.04330 0.14831 174 6PZ -0.03281 0.02514 0.14831 0.14831 0.04330 175 7PX 0.01964 -0.01916 0.04649 -0.11216 0.11216 176 7PY 0.01964 -0.01916 -0.11216 0.04649 0.11216 177 7PZ -0.01964 0.01916 0.11216 0.11216 0.04649 178 8PX -0.00213 -0.01280 0.02271 -0.04957 0.04957 179 8PY -0.00213 -0.01280 -0.04957 0.02271 0.04957 180 8PZ 0.00213 0.01280 0.04957 0.04957 0.02271 181 9D 0 0.00000 0.00000 -0.00495 -0.00495 -0.00989 182 9D+1 -0.00295 0.00108 0.00282 0.01139 -0.00282 183 9D-1 -0.00295 0.00108 0.01139 0.00282 -0.00282 184 9D+2 0.00000 0.00000 0.00857 -0.00857 0.00000 185 9D-2 0.00295 -0.00108 -0.00282 -0.00282 0.01139 61 62 63 64 65 61 7PX 0.08091 62 7PY 0.00072 0.08091 63 7PZ -0.00072 -0.00072 0.08091 64 8PX 0.02057 -0.01526 0.01526 0.02088 65 8PY -0.01526 0.02057 0.01526 -0.00581 0.02088 66 8PZ 0.01526 0.01526 0.02057 0.00581 0.00581 67 9D 0 0.00406 0.00406 0.00813 0.00027 0.00027 68 9D+1 0.00549 -0.00158 -0.00549 -0.00101 -0.00161 69 9D-1 -0.00158 0.00549 -0.00549 -0.00161 -0.00101 70 9D+2 -0.00704 0.00704 0.00000 -0.00046 0.00046 71 9D-2 -0.00549 -0.00549 -0.00158 0.00101 0.00101 72 4 C 1S 0.00233 -0.00035 0.00035 0.00225 -0.00141 73 2S 0.00518 -0.00039 0.00039 0.00463 -0.00223 74 3S -0.00820 -0.00133 0.00133 -0.00624 0.00084 75 4S -0.01656 0.00223 -0.00223 -0.01278 0.00550 76 5S -0.01528 -0.00219 0.00219 -0.01026 0.00793 77 6PX -0.00372 -0.00502 0.00502 0.00518 0.00357 78 6PY 0.00443 -0.00279 0.00601 0.00728 0.00081 79 6PZ -0.00443 0.00601 -0.00279 -0.00728 0.00472 80 7PX -0.00132 -0.00398 0.00398 0.00667 0.00163 81 7PY 0.00398 -0.00333 0.00617 0.00642 0.00152 82 7PZ -0.00398 0.00617 -0.00333 -0.00642 0.00318 83 8PX 0.00667 -0.00642 0.00642 0.01488 -0.00233 84 8PY -0.00163 0.00152 0.00318 0.00233 0.00687 85 8PZ 0.00163 0.00318 0.00152 -0.00233 0.00048 86 9D 0 -0.00045 0.00079 0.00004 -0.00106 0.00066 87 9D+1 0.00119 -0.00072 0.00061 0.00148 -0.00098 88 9D-1 -0.00035 -0.00033 0.00033 0.00036 0.00059 89 9D+2 0.00078 -0.00041 0.00088 0.00184 0.00027 90 9D-2 -0.00119 0.00061 -0.00072 -0.00148 0.00094 91 5 C 1S -0.00035 0.00233 0.00035 -0.00141 0.00225 92 2S -0.00039 0.00518 0.00039 -0.00223 0.00463 93 3S -0.00133 -0.00820 0.00133 0.00084 -0.00624 94 4S 0.00223 -0.01656 -0.00223 0.00550 -0.01278 95 5S -0.00219 -0.01528 0.00219 0.00793 -0.01026 96 6PX -0.00279 0.00443 0.00601 0.00081 0.00728 97 6PY -0.00502 -0.00372 0.00502 0.00357 0.00518 98 6PZ 0.00601 -0.00443 -0.00279 0.00472 -0.00728 99 7PX -0.00333 0.00398 0.00617 0.00152 0.00642 100 7PY -0.00398 -0.00132 0.00398 0.00163 0.00667 101 7PZ 0.00617 -0.00398 -0.00333 0.00318 -0.00642 102 8PX 0.00152 -0.00163 0.00318 0.00687 0.00233 103 8PY -0.00642 0.00667 0.00642 -0.00233 0.01488 104 8PZ 0.00318 0.00163 0.00152 0.00048 -0.00233 105 9D 0 0.00079 -0.00045 0.00004 0.00066 -0.00106 106 9D+1 -0.00033 -0.00035 0.00033 0.00059 0.00036 107 9D-1 -0.00072 0.00119 0.00061 -0.00098 0.00148 108 9D+2 0.00041 -0.00078 -0.00088 -0.00027 -0.00184 109 9D-2 0.00061 -0.00119 -0.00072 0.00094 -0.00148 110 6 O 1S 0.00023 0.00023 0.00023 0.00017 0.00017 111 2S 0.00055 0.00055 0.00075 0.00051 0.00051 112 3S -0.00113 -0.00113 -0.00231 -0.00138 -0.00138 113 4S 0.00036 0.00036 -0.00095 -0.00035 -0.00035 114 5S -0.00082 -0.00082 -0.01057 -0.00610 -0.00610 115 6PX 0.00153 0.00445 0.00454 0.00142 0.00605 116 6PY 0.00445 0.00153 0.00454 0.00605 0.00142 117 6PZ -0.00100 -0.00100 -0.00285 0.00172 0.00172 118 7PX 0.00092 0.00326 0.00354 0.00099 0.00475 119 7PY 0.00326 0.00092 0.00354 0.00475 0.00099 120 7PZ -0.00142 -0.00142 -0.00237 0.00118 0.00118 121 8PX 0.00046 0.00420 0.00398 -0.00118 0.00468 122 8PY 0.00420 0.00046 0.00398 0.00468 -0.00118 123 8PZ -0.00376 -0.00376 -0.00292 0.00096 0.00096 124 9D 0 -0.00023 -0.00023 0.00021 0.00012 0.00012 125 9D+1 -0.00014 -0.00011 0.00007 -0.00011 -0.00004 126 9D-1 -0.00011 -0.00014 0.00007 -0.00004 -0.00011 127 9D+2 -0.00004 0.00004 0.00000 -0.00008 0.00008 128 9D-2 0.00008 0.00008 -0.00010 -0.00017 -0.00017 129 7 O 1S -0.00023 0.00023 -0.00023 -0.00045 0.00017 130 2S -0.00075 0.00055 -0.00055 -0.00109 0.00051 131 3S 0.00231 -0.00113 0.00113 0.00216 -0.00138 132 4S 0.00095 0.00036 -0.00036 0.00156 -0.00035 133 5S 0.01057 -0.00082 0.00082 0.00926 -0.00610 134 6PX -0.00285 0.00100 -0.00100 -0.00867 -0.00172 135 6PY -0.00454 0.00153 -0.00445 -0.00682 0.00142 136 6PZ 0.00454 -0.00445 0.00153 0.00682 -0.00605 137 7PX -0.00237 0.00142 -0.00142 -0.00705 -0.00118 138 7PY -0.00354 0.00092 -0.00326 -0.00556 0.00099 139 7PZ 0.00354 -0.00326 0.00092 0.00556 -0.00475 140 8PX -0.00292 0.00376 -0.00376 -0.01031 -0.00096 141 8PY -0.00398 0.00046 -0.00420 -0.00709 -0.00118 142 8PZ 0.00398 -0.00420 0.00046 0.00709 -0.00468 143 9D 0 0.00011 0.00015 -0.00008 0.00000 0.00001 144 9D+1 -0.00007 -0.00011 0.00014 -0.00001 -0.00004 145 9D-1 -0.00010 -0.00008 0.00008 0.00003 0.00017 146 9D+2 -0.00018 -0.00018 0.00022 0.00001 0.00015 147 9D-2 0.00007 0.00014 -0.00011 0.00001 0.00011 148 8 O 1S 0.00023 -0.00023 -0.00023 0.00017 -0.00045 149 2S 0.00055 -0.00075 -0.00055 0.00051 -0.00109 150 3S -0.00113 0.00231 0.00113 -0.00138 0.00216 151 4S 0.00036 0.00095 -0.00036 -0.00035 0.00156 152 5S -0.00082 0.01057 0.00082 -0.00610 0.00926 153 6PX 0.00153 -0.00454 -0.00445 0.00142 -0.00682 154 6PY 0.00100 -0.00285 -0.00100 -0.00172 -0.00867 155 6PZ -0.00445 0.00454 0.00153 -0.00605 0.00682 156 7PX 0.00092 -0.00354 -0.00326 0.00099 -0.00556 157 7PY 0.00142 -0.00237 -0.00142 -0.00118 -0.00705 158 7PZ -0.00326 0.00354 0.00092 -0.00475 0.00556 159 8PX 0.00046 -0.00398 -0.00420 -0.00118 -0.00709 160 8PY 0.00376 -0.00292 -0.00376 -0.00096 -0.01031 161 8PZ -0.00420 0.00398 0.00046 -0.00468 0.00709 162 9D 0 0.00015 0.00011 -0.00008 0.00001 0.00000 163 9D+1 -0.00008 -0.00010 0.00008 0.00017 0.00003 164 9D-1 -0.00011 -0.00007 0.00014 -0.00004 -0.00001 165 9D+2 0.00018 0.00018 -0.00022 -0.00015 -0.00001 166 9D-2 0.00014 0.00007 -0.00011 0.00011 0.00001 167 9 O 1S 0.00192 0.00192 -0.00192 0.00315 0.00315 168 2S 0.00534 0.00534 -0.00534 0.00530 0.00530 169 3S -0.01208 -0.01208 0.01208 -0.00200 -0.00200 170 4S -0.00422 -0.00422 0.00422 -0.00691 -0.00691 171 5S -0.00371 -0.00371 0.00371 -0.00177 -0.00177 172 6PX 0.05479 -0.08403 0.08403 0.03060 0.00272 173 6PY -0.08403 0.05479 0.08403 0.00272 0.03060 174 6PZ 0.08403 0.08403 0.05479 -0.00272 -0.00272 175 7PX 0.04987 -0.06514 0.06514 0.02408 0.00073 176 7PY -0.06514 0.04987 0.06514 0.00073 0.02408 177 7PZ 0.06514 0.06514 0.04987 -0.00073 -0.00073 178 8PX 0.02006 -0.02946 0.02946 0.00347 0.00434 179 8PY -0.02946 0.02006 0.02946 0.00434 0.00347 180 8PZ 0.02946 0.02946 0.02006 -0.00434 -0.00434 181 9D 0 -0.00368 -0.00368 -0.00736 -0.00112 -0.00112 182 9D+1 0.00013 0.00651 -0.00013 -0.00130 0.00064 183 9D-1 0.00651 0.00013 -0.00013 0.00064 -0.00130 184 9D+2 0.00638 -0.00638 0.00000 0.00193 -0.00193 185 9D-2 -0.00013 -0.00013 0.00651 0.00130 0.00130 66 67 68 69 70 66 8PZ 0.02088 67 9D 0 0.00054 0.00261 68 9D+1 0.00101 -0.00074 0.00197 69 9D-1 0.00101 -0.00074 0.00066 0.00197 70 9D+2 0.00000 0.00000 -0.00129 0.00129 0.00261 71 9D-2 -0.00161 -0.00149 -0.00066 -0.00066 0.00000 72 4 C 1S 0.00141 -0.00025 -0.00009 0.00054 0.00043 73 2S 0.00223 -0.00053 -0.00015 0.00113 0.00091 74 3S -0.00084 0.00085 0.00015 -0.00176 -0.00146 75 4S -0.00550 0.00139 0.00007 -0.00292 -0.00241 76 5S -0.00793 0.00144 -0.00020 -0.00259 -0.00249 77 6PX -0.00357 -0.00005 -0.00128 -0.00120 0.00009 78 6PY 0.00472 -0.00135 -0.00067 0.00115 0.00107 79 6PZ 0.00081 0.00026 0.00072 -0.00115 -0.00170 80 7PX -0.00163 -0.00045 -0.00119 -0.00035 0.00078 81 7PY 0.00318 -0.00079 -0.00072 0.00033 0.00041 82 7PZ 0.00152 -0.00004 0.00061 -0.00033 -0.00088 83 8PX 0.00233 -0.00106 -0.00148 0.00036 0.00184 84 8PY 0.00048 -0.00066 -0.00098 -0.00059 -0.00027 85 8PZ 0.00687 -0.00056 0.00094 0.00059 -0.00043 86 9D 0 0.00056 -0.00004 0.00013 0.00005 -0.00014 87 9D+1 0.00094 -0.00013 -0.00008 0.00016 0.00024 88 9D-1 -0.00059 0.00005 -0.00016 -0.00019 -0.00008 89 9D+2 0.00043 -0.00014 -0.00024 -0.00008 0.00012 90 9D-2 -0.00098 0.00014 0.00002 -0.00016 -0.00023 91 5 C 1S 0.00141 -0.00025 0.00054 -0.00009 -0.00043 92 2S 0.00223 -0.00053 0.00113 -0.00015 -0.00091 93 3S -0.00084 0.00085 -0.00176 0.00015 0.00146 94 4S -0.00550 0.00139 -0.00292 0.00007 0.00241 95 5S -0.00793 0.00144 -0.00259 -0.00020 0.00249 96 6PX 0.00472 -0.00135 0.00115 -0.00067 -0.00107 97 6PY -0.00357 -0.00005 -0.00120 -0.00128 -0.00009 98 6PZ 0.00081 0.00026 -0.00115 0.00072 0.00170 99 7PX 0.00318 -0.00079 0.00033 -0.00072 -0.00041 100 7PY -0.00163 -0.00045 -0.00035 -0.00119 -0.00078 101 7PZ 0.00152 -0.00004 -0.00033 0.00061 0.00088 102 8PX 0.00048 -0.00066 -0.00059 -0.00098 0.00027 103 8PY 0.00233 -0.00106 0.00036 -0.00148 -0.00184 104 8PZ 0.00687 -0.00056 0.00059 0.00094 0.00043 105 9D 0 0.00056 -0.00004 0.00005 0.00013 0.00014 106 9D+1 -0.00059 0.00005 -0.00019 -0.00016 0.00008 107 9D-1 0.00094 -0.00013 0.00016 -0.00008 -0.00024 108 9D+2 -0.00043 0.00014 0.00008 0.00024 0.00012 109 9D-2 -0.00098 0.00014 -0.00016 0.00002 0.00023 110 6 O 1S 0.00045 -0.00015 -0.00004 -0.00004 0.00000 111 2S 0.00109 -0.00036 -0.00008 -0.00008 0.00000 112 3S -0.00216 0.00060 0.00006 0.00006 0.00000 113 4S -0.00156 0.00087 0.00000 0.00000 0.00000 114 5S -0.00926 0.00218 0.00030 0.00030 0.00000 115 6PX 0.00682 -0.00107 0.00058 0.00063 -0.00043 116 6PY 0.00682 -0.00107 0.00063 0.00058 0.00043 117 6PZ -0.00867 0.00028 -0.00128 -0.00128 0.00000 118 7PX 0.00556 -0.00092 0.00047 0.00050 -0.00036 119 7PY 0.00556 -0.00092 0.00050 0.00047 0.00036 120 7PZ -0.00705 0.00012 -0.00105 -0.00105 0.00000 121 8PX 0.00709 -0.00105 0.00067 0.00080 -0.00053 122 8PY 0.00709 -0.00105 0.00080 0.00067 0.00053 123 8PZ -0.01031 0.00086 -0.00153 -0.00153 0.00000 124 9D 0 -0.00001 0.00002 -0.00002 -0.00002 0.00000 125 9D+1 0.00001 0.00003 0.00000 -0.00001 -0.00001 126 9D-1 0.00001 0.00003 -0.00001 0.00000 0.00001 127 9D+2 0.00000 0.00000 0.00001 -0.00001 -0.00002 128 9D-2 0.00003 0.00001 0.00001 0.00001 0.00000 129 7 O 1S -0.00017 0.00007 -0.00004 -0.00015 -0.00013 130 2S -0.00051 0.00018 -0.00008 -0.00034 -0.00031 131 3S 0.00138 -0.00030 0.00006 0.00056 0.00052 132 4S 0.00035 -0.00044 0.00000 0.00074 0.00076 133 5S 0.00610 -0.00109 0.00030 0.00185 0.00189 134 6PX 0.00172 0.00014 0.00128 0.00125 -0.00024 135 6PY -0.00605 0.00090 0.00063 -0.00032 -0.00071 136 6PZ 0.00142 -0.00016 -0.00058 0.00032 0.00114 137 7PX 0.00118 0.00006 0.00105 0.00110 -0.00011 138 7PY -0.00475 0.00077 0.00050 -0.00029 -0.00062 139 7PZ 0.00099 -0.00015 -0.00047 0.00029 0.00098 140 8PX 0.00096 0.00043 0.00153 0.00074 -0.00074 141 8PY -0.00468 0.00098 0.00080 -0.00021 -0.00064 142 8PZ -0.00118 -0.00007 -0.00067 0.00021 0.00117 143 9D 0 0.00013 -0.00001 0.00002 -0.00001 -0.00002 144 9D+1 0.00011 -0.00002 0.00000 0.00003 0.00002 145 9D-1 -0.00017 0.00001 -0.00001 -0.00002 -0.00001 146 9D+2 -0.00007 -0.00002 -0.00002 0.00002 0.00001 147 9D-2 -0.00004 0.00001 0.00001 -0.00003 -0.00003 148 8 O 1S -0.00017 0.00007 -0.00015 -0.00004 0.00013 149 2S -0.00051 0.00018 -0.00034 -0.00008 0.00031 150 3S 0.00138 -0.00030 0.00056 0.00006 -0.00052 151 4S 0.00035 -0.00044 0.00074 0.00000 -0.00076 152 5S 0.00610 -0.00109 0.00185 0.00030 -0.00189 153 6PX -0.00605 0.00090 -0.00032 0.00063 0.00071 154 6PY 0.00172 0.00014 0.00125 0.00128 0.00024 155 6PZ 0.00142 -0.00016 0.00032 -0.00058 -0.00114 156 7PX -0.00475 0.00077 -0.00029 0.00050 0.00062 157 7PY 0.00118 0.00006 0.00110 0.00105 0.00011 158 7PZ 0.00099 -0.00015 0.00029 -0.00047 -0.00098 159 8PX -0.00468 0.00098 -0.00021 0.00080 0.00064 160 8PY 0.00096 0.00043 0.00074 0.00153 0.00074 161 8PZ -0.00118 -0.00007 0.00021 -0.00067 -0.00117 162 9D 0 0.00013 -0.00001 -0.00001 0.00002 0.00002 163 9D+1 -0.00017 0.00001 -0.00002 -0.00001 0.00001 164 9D-1 0.00011 -0.00002 0.00003 0.00000 -0.00002 165 9D+2 0.00007 0.00002 -0.00002 0.00002 0.00001 166 9D-2 -0.00004 0.00001 -0.00003 0.00001 0.00003 167 9 O 1S -0.00315 0.00000 0.00246 0.00246 0.00000 168 2S -0.00530 0.00000 0.00575 0.00575 0.00000 169 3S 0.00200 0.00000 -0.00863 -0.00863 0.00000 170 4S 0.00691 0.00000 -0.00834 -0.00834 0.00000 171 5S 0.00177 0.00000 -0.00158 -0.00158 0.00000 172 6PX -0.00272 0.01210 -0.00228 -0.02315 -0.02095 173 6PY -0.00272 0.01210 -0.02315 -0.00228 0.02095 174 6PZ 0.03060 0.02420 0.00228 0.00228 0.00000 175 7PX -0.00073 0.00999 -0.00064 -0.01787 -0.01730 176 7PY -0.00073 0.00999 -0.01787 -0.00064 0.01730 177 7PZ 0.02408 0.01998 0.00064 0.00064 0.00000 178 8PX -0.00434 0.00591 0.00101 -0.00911 -0.01023 179 8PY -0.00434 0.00591 -0.00911 0.00101 0.01023 180 8PZ 0.00347 0.01181 -0.00101 -0.00101 0.00000 181 9D 0 -0.00223 -0.00159 0.00046 0.00046 0.00000 182 9D+1 0.00130 0.00046 0.00015 0.00095 0.00079 183 9D-1 0.00130 0.00046 0.00095 0.00015 -0.00079 184 9D+2 0.00000 0.00000 0.00080 -0.00080 -0.00159 185 9D-2 0.00064 0.00092 -0.00095 -0.00095 0.00000 71 72 73 74 75 71 9D-2 0.00197 72 4 C 1S 0.00009 0.45858 73 2S 0.00015 0.61736 0.84599 74 3S -0.00015 -0.04613 -0.12732 0.29183 75 4S -0.00007 -0.11653 -0.22850 0.31816 0.43895 76 5S 0.00020 -0.01664 -0.04431 0.09181 0.14954 77 6PX 0.00128 -0.00661 -0.01378 0.01173 0.10037 78 6PY 0.00072 0.00661 0.01378 -0.01173 -0.10037 79 6PZ -0.00067 -0.00661 -0.01378 0.01173 0.10037 80 7PX 0.00119 -0.01057 -0.02183 0.02918 0.07342 81 7PY 0.00061 0.01057 0.02183 -0.02918 -0.07342 82 7PZ -0.00072 -0.01057 -0.02183 0.02918 0.07342 83 8PX 0.00148 0.00218 0.00169 0.00653 -0.00077 84 8PY 0.00094 -0.00218 -0.00169 -0.00653 0.00077 85 8PZ -0.00098 0.00218 0.00169 0.00653 -0.00077 86 9D 0 -0.00014 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00002 -0.00074 -0.00255 0.00781 0.00019 88 9D-1 0.00016 0.00074 0.00255 -0.00781 -0.00019 89 9D+2 0.00023 0.00000 0.00000 0.00000 0.00000 90 9D-2 -0.00008 0.00074 0.00255 -0.00781 -0.00019 91 5 C 1S 0.00009 -0.00071 -0.00161 0.00306 0.00401 92 2S 0.00015 -0.00161 -0.00356 0.00644 0.00902 93 3S -0.00015 0.00306 0.00644 -0.01039 -0.01646 94 4S -0.00007 0.00401 0.00902 -0.01646 -0.02509 95 5S 0.00020 0.00654 0.01277 -0.01699 -0.02983 96 6PX 0.00072 -0.00070 -0.00159 0.00402 0.00216 97 6PY 0.00128 0.00070 0.00159 -0.00402 -0.00216 98 6PZ -0.00067 0.00321 0.00694 -0.01050 -0.02240 99 7PX 0.00061 0.00035 0.00039 0.00133 -0.00223 100 7PY 0.00119 -0.00035 -0.00039 -0.00133 0.00223 101 7PZ -0.00072 0.00233 0.00518 -0.00820 -0.01656 102 8PX 0.00094 0.00141 0.00223 -0.00084 -0.00550 103 8PY 0.00148 -0.00141 -0.00223 0.00084 0.00550 104 8PZ -0.00098 0.00225 0.00463 -0.00624 -0.01278 105 9D 0 -0.00014 0.00049 0.00105 -0.00169 -0.00278 106 9D+1 0.00016 -0.00009 -0.00015 0.00015 0.00007 107 9D-1 0.00002 0.00009 0.00015 -0.00015 -0.00007 108 9D+2 -0.00023 0.00000 0.00000 0.00000 0.00000 109 9D-2 -0.00008 0.00054 0.00113 -0.00176 -0.00292 110 6 O 1S 0.00015 0.00015 0.00034 -0.00073 -0.00029 111 2S 0.00034 0.00037 0.00082 -0.00165 -0.00119 112 3S -0.00056 -0.00069 -0.00147 0.00256 0.00348 113 4S -0.00074 -0.00075 -0.00179 0.00357 0.00495 114 5S -0.00185 -0.00269 -0.00461 0.00389 0.01022 115 6PX 0.00032 -0.00079 -0.00175 0.00295 0.00369 116 6PY 0.00032 0.00341 0.00760 -0.01395 -0.01908 117 6PZ 0.00125 -0.00079 -0.00175 0.00295 0.00369 118 7PX 0.00029 -0.00056 -0.00139 0.00285 0.00330 119 7PY 0.00029 0.00286 0.00638 -0.01165 -0.01627 120 7PZ 0.00110 -0.00056 -0.00139 0.00285 0.00330 121 8PX 0.00021 -0.00084 -0.00170 0.00238 0.00406 122 8PY 0.00021 0.00329 0.00676 -0.01003 -0.01723 123 8PZ 0.00074 -0.00084 -0.00170 0.00238 0.00406 124 9D 0 -0.00002 0.00001 0.00003 -0.00010 0.00008 125 9D+1 -0.00003 -0.00003 -0.00004 0.00000 0.00024 126 9D-1 -0.00003 -0.00005 -0.00009 0.00018 0.00011 127 9D+2 0.00000 0.00002 0.00005 -0.00018 0.00013 128 9D-2 -0.00002 -0.00005 -0.00009 0.00018 0.00011 129 7 O 1S 0.00004 0.00308 0.00592 -0.00716 0.01018 130 2S 0.00008 0.00692 0.01328 -0.01709 0.02775 131 3S -0.00006 -0.00693 -0.01408 0.02331 -0.05687 132 4S 0.00000 -0.01252 -0.01702 0.00062 -0.08354 133 5S -0.00030 0.03116 0.06048 -0.08612 -0.12949 134 6PX -0.00128 -0.02301 -0.04868 0.09111 0.03281 135 6PY -0.00058 0.02301 0.04868 -0.09111 -0.03281 136 6PZ 0.00063 -0.02301 -0.04868 0.09111 0.03281 137 7PX -0.00105 -0.01758 -0.03523 0.06029 0.01964 138 7PY -0.00047 0.01758 0.03523 -0.06029 -0.01964 139 7PZ 0.00050 -0.01758 -0.03523 0.06029 0.01964 140 8PX -0.00153 -0.00149 -0.00465 0.01525 -0.00213 141 8PY -0.00067 0.00149 0.00465 -0.01525 0.00213 142 8PZ 0.00080 -0.00149 -0.00465 0.01525 -0.00213 143 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00001 -0.00264 -0.00497 0.00713 0.00295 145 9D-1 0.00001 0.00264 0.00497 -0.00713 -0.00295 146 9D+2 0.00002 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00264 0.00497 -0.00713 -0.00295 148 8 O 1S 0.00004 0.00015 0.00034 -0.00073 -0.00029 149 2S 0.00008 0.00037 0.00082 -0.00165 -0.00119 150 3S -0.00006 -0.00069 -0.00147 0.00256 0.00348 151 4S 0.00000 -0.00075 -0.00179 0.00357 0.00495 152 5S -0.00030 -0.00269 -0.00461 0.00389 0.01022 153 6PX -0.00058 -0.00079 -0.00175 0.00295 0.00369 154 6PY -0.00128 0.00079 0.00175 -0.00295 -0.00369 155 6PZ 0.00063 -0.00341 -0.00760 0.01395 0.01908 156 7PX -0.00047 -0.00056 -0.00139 0.00285 0.00330 157 7PY -0.00105 0.00056 0.00139 -0.00285 -0.00330 158 7PZ 0.00050 -0.00286 -0.00638 0.01165 0.01627 159 8PX -0.00067 -0.00084 -0.00170 0.00238 0.00406 160 8PY -0.00153 0.00084 0.00170 -0.00238 -0.00406 161 8PZ 0.00080 -0.00329 -0.00676 0.01003 0.01723 162 9D 0 -0.00001 -0.00002 -0.00005 0.00021 -0.00015 163 9D+1 0.00001 0.00005 0.00009 -0.00018 -0.00011 164 9D-1 0.00001 -0.00005 -0.00009 0.00018 0.00011 165 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00003 0.00004 0.00000 -0.00024 167 9 O 1S -0.00246 0.00015 0.00034 -0.00073 -0.00029 168 2S -0.00575 0.00037 0.00082 -0.00165 -0.00119 169 3S 0.00863 -0.00069 -0.00147 0.00256 0.00348 170 4S 0.00834 -0.00075 -0.00179 0.00357 0.00495 171 5S 0.00158 -0.00269 -0.00461 0.00389 0.01022 172 6PX 0.00228 -0.00341 -0.00760 0.01395 0.01908 173 6PY 0.00228 0.00079 0.00175 -0.00295 -0.00369 174 6PZ -0.02315 -0.00079 -0.00175 0.00295 0.00369 175 7PX 0.00064 -0.00286 -0.00638 0.01165 0.01627 176 7PY 0.00064 0.00056 0.00139 -0.00285 -0.00330 177 7PZ -0.01787 -0.00056 -0.00139 0.00285 0.00330 178 8PX -0.00101 -0.00329 -0.00676 0.01003 0.01723 179 8PY -0.00101 0.00084 0.00170 -0.00238 -0.00406 180 8PZ -0.00911 -0.00084 -0.00170 0.00238 0.00406 181 9D 0 0.00092 0.00001 0.00003 -0.00010 0.00008 182 9D+1 -0.00095 0.00005 0.00009 -0.00018 -0.00011 183 9D-1 -0.00095 0.00003 0.00004 0.00000 -0.00024 184 9D+2 0.00000 -0.00002 -0.00005 0.00018 -0.00013 185 9D-2 0.00015 -0.00005 -0.00009 0.00018 0.00011 76 77 78 79 80 76 5S 0.07254 77 6PX 0.05782 0.18923 78 6PY -0.05782 -0.05424 0.18923 79 6PZ 0.05782 0.05424 -0.05424 0.18923 80 7PX 0.03509 0.11838 -0.01491 0.01491 0.08091 81 7PY -0.03509 -0.01491 0.11838 -0.01491 -0.00072 82 7PZ 0.03509 0.01491 -0.01491 0.11838 0.00072 83 8PX -0.00656 0.02079 0.02170 -0.02170 0.02057 84 8PY 0.00656 0.02170 0.02079 0.02170 0.01526 85 8PZ -0.00656 -0.02170 0.02170 0.02079 -0.01526 86 9D 0 0.00000 0.00580 -0.00580 -0.01161 0.00406 87 9D+1 -0.00323 -0.01157 0.00145 -0.01157 -0.00549 88 9D-1 0.00323 0.00145 -0.01157 0.01157 -0.00158 89 9D+2 0.00000 -0.01005 -0.01005 0.00000 -0.00704 90 9D-2 0.00323 0.01157 -0.01157 0.00145 0.00549 91 5 C 1S 0.00654 0.00070 -0.00070 0.00321 -0.00035 92 2S 0.01277 0.00159 -0.00159 0.00694 -0.00039 93 3S -0.01699 -0.00402 0.00402 -0.01050 -0.00133 94 4S -0.02983 -0.00216 0.00216 -0.02240 0.00223 95 5S -0.01965 -0.00774 0.00774 -0.02086 -0.00219 96 6PX 0.00774 -0.00022 0.00350 0.00719 -0.00279 97 6PY -0.00774 0.00350 -0.00022 -0.00719 0.00601 98 6PZ -0.02086 -0.00719 0.00719 -0.00784 -0.00502 99 7PX 0.00219 -0.00279 0.00601 0.00502 -0.00333 100 7PY -0.00219 0.00601 -0.00279 -0.00502 0.00617 101 7PZ -0.01528 -0.00443 0.00443 -0.00372 -0.00398 102 8PX -0.00793 0.00081 0.00472 -0.00357 0.00152 103 8PY 0.00793 0.00472 0.00081 0.00357 0.00318 104 8PZ -0.01026 -0.00728 0.00728 0.00518 -0.00642 105 9D 0 -0.00288 -0.00160 0.00160 0.00010 -0.00074 106 9D+1 -0.00020 0.00072 -0.00067 -0.00128 0.00061 107 9D-1 0.00020 -0.00067 0.00072 0.00128 -0.00072 108 9D+2 0.00000 -0.00063 -0.00063 0.00000 -0.00048 109 9D-2 -0.00259 -0.00115 0.00115 -0.00120 -0.00033 110 6 O 1S -0.00255 -0.00008 0.00088 -0.00008 0.00023 111 2S -0.00459 -0.00018 0.00212 -0.00018 0.00055 112 3S 0.00388 0.00005 -0.00411 0.00005 -0.00113 113 4S 0.00387 0.00204 -0.00244 0.00204 0.00036 114 5S 0.00959 0.00207 -0.01357 0.00207 -0.00082 115 6PX 0.00215 0.00257 0.00387 0.00710 0.00153 116 6PY -0.02280 -0.00911 0.00516 -0.00911 -0.00100 117 6PZ 0.00215 0.00710 0.00387 0.00257 0.00445 118 7PX 0.00218 0.00178 0.00279 0.00543 0.00092 119 7PY -0.01863 -0.00829 0.00409 -0.00829 -0.00142 120 7PZ 0.00218 0.00543 0.00279 0.00178 0.00326 121 8PX 0.00422 0.00096 0.00292 0.00603 0.00046 122 8PY -0.01795 -0.00855 0.00210 -0.00855 -0.00376 123 8PZ 0.00422 0.00603 0.00292 0.00096 0.00420 124 9D 0 -0.00009 -0.00001 -0.00002 -0.00002 0.00015 125 9D+1 0.00018 0.00003 -0.00013 0.00003 0.00008 126 9D-1 0.00034 0.00005 -0.00010 0.00005 -0.00011 127 9D+2 -0.00016 -0.00003 -0.00004 -0.00003 0.00018 128 9D-2 0.00034 0.00005 -0.00010 0.00005 -0.00014 129 7 O 1S -0.00329 0.01445 -0.01445 0.01445 0.00192 130 2S -0.00236 0.03432 -0.03432 0.03432 0.00534 131 3S -0.01341 -0.05514 0.05514 -0.05514 -0.01208 132 4S -0.00963 -0.04632 0.04632 -0.04632 -0.00422 133 5S -0.03477 -0.01245 0.01245 -0.01245 -0.00371 134 6PX -0.02514 0.04330 0.14831 -0.14831 0.05479 135 6PY 0.02514 0.14831 0.04330 0.14831 0.08403 136 6PZ -0.02514 -0.14831 0.14831 0.04330 -0.08403 137 7PX -0.01916 0.04649 0.11216 -0.11216 0.04987 138 7PY 0.01916 0.11216 0.04649 0.11216 0.06514 139 7PZ -0.01916 -0.11216 0.11216 0.04649 -0.06514 140 8PX -0.01280 0.02271 0.04957 -0.04957 0.02006 141 8PY 0.01280 0.04957 0.02271 0.04957 0.02946 142 8PZ -0.01280 -0.04957 0.04957 0.02271 -0.02946 143 9D 0 0.00000 -0.00495 0.00495 0.00989 -0.00368 144 9D+1 -0.00108 -0.00282 0.01139 -0.00282 -0.00013 145 9D-1 0.00108 0.01139 -0.00282 0.00282 0.00651 146 9D+2 0.00000 0.00857 0.00857 0.00000 0.00638 147 9D-2 0.00108 0.00282 -0.00282 0.01139 0.00013 148 8 O 1S -0.00255 -0.00008 0.00008 -0.00088 0.00023 149 2S -0.00459 -0.00018 0.00018 -0.00212 0.00055 150 3S 0.00388 0.00005 -0.00005 0.00411 -0.00113 151 4S 0.00387 0.00204 -0.00204 0.00244 0.00036 152 5S 0.00959 0.00207 -0.00207 0.01357 -0.00082 153 6PX 0.00215 0.00257 -0.00710 -0.00387 0.00153 154 6PY -0.00215 -0.00710 0.00257 0.00387 -0.00445 155 6PZ 0.02280 0.00911 -0.00911 0.00516 0.00100 156 7PX 0.00218 0.00178 -0.00543 -0.00279 0.00092 157 7PY -0.00218 -0.00543 0.00178 0.00279 -0.00326 158 7PZ 0.01863 0.00829 -0.00829 0.00409 0.00142 159 8PX 0.00422 0.00096 -0.00603 -0.00292 0.00046 160 8PY -0.00422 -0.00603 0.00096 0.00292 -0.00420 161 8PZ 0.01795 0.00855 -0.00855 0.00210 0.00376 162 9D 0 0.00018 0.00003 -0.00003 -0.00004 -0.00023 163 9D+1 -0.00034 -0.00005 0.00005 -0.00010 0.00014 164 9D-1 0.00034 0.00005 -0.00005 0.00010 -0.00011 165 9D+2 0.00000 -0.00001 -0.00001 0.00000 -0.00004 166 9D-2 -0.00018 -0.00003 0.00003 -0.00013 -0.00008 167 9 O 1S -0.00255 -0.00088 0.00008 -0.00008 -0.00023 168 2S -0.00459 -0.00212 0.00018 -0.00018 -0.00075 169 3S 0.00388 0.00411 -0.00005 0.00005 0.00231 170 4S 0.00387 0.00244 -0.00204 0.00204 0.00095 171 5S 0.00959 0.01357 -0.00207 0.00207 0.01057 172 6PX 0.02280 0.00516 -0.00911 0.00911 -0.00285 173 6PY -0.00215 0.00387 0.00257 -0.00710 0.00454 174 6PZ 0.00215 -0.00387 -0.00710 0.00257 -0.00454 175 7PX 0.01863 0.00409 -0.00829 0.00829 -0.00237 176 7PY -0.00218 0.00279 0.00178 -0.00543 0.00354 177 7PZ 0.00218 -0.00279 -0.00543 0.00178 -0.00354 178 8PX 0.01795 0.00210 -0.00855 0.00855 -0.00292 179 8PY -0.00422 0.00292 0.00096 -0.00603 0.00398 180 8PZ 0.00422 -0.00292 -0.00603 0.00096 -0.00398 181 9D 0 -0.00009 0.00002 0.00001 -0.00002 0.00011 182 9D+1 -0.00034 -0.00010 0.00005 -0.00005 0.00007 183 9D-1 -0.00018 -0.00013 0.00003 -0.00003 -0.00010 184 9D+2 0.00016 -0.00004 -0.00003 0.00003 -0.00018 185 9D-2 0.00034 0.00010 -0.00005 0.00005 -0.00007 81 82 83 84 85 81 7PY 0.08091 82 7PZ -0.00072 0.08091 83 8PX 0.01526 -0.01526 0.02088 84 8PY 0.02057 0.01526 0.00581 0.02088 85 8PZ 0.01526 0.02057 -0.00581 0.00581 0.02088 86 9D 0 -0.00406 -0.00813 0.00027 -0.00027 -0.00054 87 9D+1 -0.00158 -0.00549 0.00101 -0.00161 0.00101 88 9D-1 -0.00549 0.00549 -0.00161 0.00101 -0.00101 89 9D+2 -0.00704 0.00000 -0.00046 -0.00046 0.00000 90 9D-2 -0.00549 -0.00158 -0.00101 0.00101 -0.00161 91 5 C 1S 0.00035 0.00233 -0.00141 0.00141 0.00225 92 2S 0.00039 0.00518 -0.00223 0.00223 0.00463 93 3S 0.00133 -0.00820 0.00084 -0.00084 -0.00624 94 4S -0.00223 -0.01656 0.00550 -0.00550 -0.01278 95 5S 0.00219 -0.01528 0.00793 -0.00793 -0.01026 96 6PX 0.00601 0.00443 0.00081 0.00472 0.00728 97 6PY -0.00279 -0.00443 0.00472 0.00081 -0.00728 98 6PZ 0.00502 -0.00372 0.00357 -0.00357 0.00518 99 7PX 0.00617 0.00398 0.00152 0.00318 0.00642 100 7PY -0.00333 -0.00398 0.00318 0.00152 -0.00642 101 7PZ 0.00398 -0.00132 0.00163 -0.00163 0.00667 102 8PX 0.00318 -0.00163 0.00687 0.00048 0.00233 103 8PY 0.00152 0.00163 0.00048 0.00687 -0.00233 104 8PZ 0.00642 0.00667 -0.00233 0.00233 0.01488 105 9D 0 0.00074 0.00090 -0.00010 0.00010 0.00212 106 9D+1 -0.00072 -0.00119 0.00094 -0.00098 -0.00148 107 9D-1 0.00061 0.00119 -0.00098 0.00094 0.00148 108 9D+2 -0.00048 0.00000 -0.00070 -0.00070 0.00000 109 9D-2 0.00033 -0.00035 0.00059 -0.00059 0.00036 110 6 O 1S 0.00023 0.00023 0.00017 0.00045 0.00017 111 2S 0.00075 0.00055 0.00051 0.00109 0.00051 112 3S -0.00231 -0.00113 -0.00138 -0.00216 -0.00138 113 4S -0.00095 0.00036 -0.00035 -0.00156 -0.00035 114 5S -0.01057 -0.00082 -0.00610 -0.00926 -0.00610 115 6PX 0.00454 0.00445 0.00142 0.00682 0.00605 116 6PY -0.00285 -0.00100 0.00172 -0.00867 0.00172 117 6PZ 0.00454 0.00153 0.00605 0.00682 0.00142 118 7PX 0.00354 0.00326 0.00099 0.00556 0.00475 119 7PY -0.00237 -0.00142 0.00118 -0.00705 0.00118 120 7PZ 0.00354 0.00092 0.00475 0.00556 0.00099 121 8PX 0.00398 0.00420 -0.00118 0.00709 0.00468 122 8PY -0.00292 -0.00376 0.00096 -0.01031 0.00096 123 8PZ 0.00398 0.00046 0.00468 0.00709 -0.00118 124 9D 0 -0.00011 0.00008 0.00001 0.00000 -0.00013 125 9D+1 -0.00010 0.00008 -0.00017 0.00003 -0.00017 126 9D-1 0.00007 -0.00014 -0.00004 0.00001 -0.00011 127 9D+2 -0.00018 0.00022 -0.00015 0.00001 -0.00007 128 9D-2 0.00007 -0.00011 -0.00011 0.00001 -0.00004 129 7 O 1S -0.00192 0.00192 0.00315 -0.00315 0.00315 130 2S -0.00534 0.00534 0.00530 -0.00530 0.00530 131 3S 0.01208 -0.01208 -0.00200 0.00200 -0.00200 132 4S 0.00422 -0.00422 -0.00691 0.00691 -0.00691 133 5S 0.00371 -0.00371 -0.00177 0.00177 -0.00177 134 6PX 0.08403 -0.08403 0.03060 -0.00272 0.00272 135 6PY 0.05479 0.08403 -0.00272 0.03060 -0.00272 136 6PZ 0.08403 0.05479 0.00272 -0.00272 0.03060 137 7PX 0.06514 -0.06514 0.02408 -0.00073 0.00073 138 7PY 0.04987 0.06514 -0.00073 0.02408 -0.00073 139 7PZ 0.06514 0.04987 0.00073 -0.00073 0.02408 140 8PX 0.02946 -0.02946 0.00347 -0.00434 0.00434 141 8PY 0.02006 0.02946 -0.00434 0.00347 -0.00434 142 8PZ 0.02946 0.02006 0.00434 -0.00434 0.00347 143 9D 0 0.00368 0.00736 -0.00112 0.00112 0.00223 144 9D+1 0.00651 -0.00013 0.00130 0.00064 0.00130 145 9D-1 -0.00013 0.00013 0.00064 0.00130 -0.00130 146 9D+2 0.00638 0.00000 0.00193 0.00193 0.00000 147 9D-2 -0.00013 0.00651 -0.00130 0.00130 0.00064 148 8 O 1S -0.00023 -0.00023 0.00017 -0.00017 -0.00045 149 2S -0.00055 -0.00075 0.00051 -0.00051 -0.00109 150 3S 0.00113 0.00231 -0.00138 0.00138 0.00216 151 4S -0.00036 0.00095 -0.00035 0.00035 0.00156 152 5S 0.00082 0.01057 -0.00610 0.00610 0.00926 153 6PX -0.00445 -0.00454 0.00142 -0.00605 -0.00682 154 6PY 0.00153 0.00454 -0.00605 0.00142 0.00682 155 6PZ -0.00100 -0.00285 -0.00172 0.00172 -0.00867 156 7PX -0.00326 -0.00354 0.00099 -0.00475 -0.00556 157 7PY 0.00092 0.00354 -0.00475 0.00099 0.00556 158 7PZ -0.00142 -0.00237 -0.00118 0.00118 -0.00705 159 8PX -0.00420 -0.00398 -0.00118 -0.00468 -0.00709 160 8PY 0.00046 0.00398 -0.00468 -0.00118 0.00709 161 8PZ -0.00376 -0.00292 -0.00096 0.00096 -0.01031 162 9D 0 0.00023 -0.00021 0.00012 -0.00012 0.00001 163 9D+1 -0.00011 0.00007 0.00011 -0.00004 0.00001 164 9D-1 0.00014 -0.00007 -0.00004 0.00011 -0.00001 165 9D+2 -0.00004 0.00000 -0.00008 -0.00008 0.00000 166 9D-2 0.00008 -0.00010 0.00017 -0.00017 0.00003 167 9 O 1S -0.00023 0.00023 -0.00045 -0.00017 0.00017 168 2S -0.00055 0.00055 -0.00109 -0.00051 0.00051 169 3S 0.00113 -0.00113 0.00216 0.00138 -0.00138 170 4S -0.00036 0.00036 0.00156 0.00035 -0.00035 171 5S 0.00082 -0.00082 0.00926 0.00610 -0.00610 172 6PX -0.00100 0.00100 -0.00867 0.00172 -0.00172 173 6PY 0.00153 -0.00445 0.00682 0.00142 -0.00605 174 6PZ -0.00445 0.00153 -0.00682 -0.00605 0.00142 175 7PX -0.00142 0.00142 -0.00705 0.00118 -0.00118 176 7PY 0.00092 -0.00326 0.00556 0.00099 -0.00475 177 7PZ -0.00326 0.00092 -0.00556 -0.00475 0.00099 178 8PX -0.00376 0.00376 -0.01031 0.00096 -0.00096 179 8PY 0.00046 -0.00420 0.00709 -0.00118 -0.00468 180 8PZ -0.00420 0.00046 -0.00709 -0.00468 -0.00118 181 9D 0 -0.00015 0.00008 0.00000 -0.00001 -0.00013 182 9D+1 -0.00011 0.00014 0.00001 -0.00004 0.00011 183 9D-1 0.00008 -0.00008 0.00003 -0.00017 0.00017 184 9D+2 0.00018 -0.00022 0.00001 -0.00015 0.00007 185 9D-2 0.00014 -0.00011 -0.00001 0.00011 -0.00004 86 87 88 89 90 86 9D 0 0.00261 87 9D+1 0.00074 0.00197 88 9D-1 -0.00074 -0.00066 0.00197 89 9D+2 0.00000 0.00129 0.00129 0.00261 90 9D-2 0.00149 -0.00066 0.00066 0.00000 0.00197 91 5 C 1S 0.00049 0.00009 -0.00009 0.00000 0.00054 92 2S 0.00105 0.00015 -0.00015 0.00000 0.00113 93 3S -0.00169 -0.00015 0.00015 0.00000 -0.00176 94 4S -0.00278 -0.00007 0.00007 0.00000 -0.00292 95 5S -0.00288 0.00020 -0.00020 0.00000 -0.00259 96 6PX 0.00160 0.00072 -0.00067 0.00063 0.00115 97 6PY -0.00160 -0.00067 0.00072 0.00063 -0.00115 98 6PZ 0.00010 0.00128 -0.00128 0.00000 -0.00120 99 7PX 0.00074 0.00061 -0.00072 0.00048 0.00033 100 7PY -0.00074 -0.00072 0.00061 0.00048 -0.00033 101 7PZ 0.00090 0.00119 -0.00119 0.00000 -0.00035 102 8PX 0.00010 0.00094 -0.00098 0.00070 -0.00059 103 8PY -0.00010 -0.00098 0.00094 0.00070 0.00059 104 8PZ 0.00212 0.00148 -0.00148 0.00000 0.00036 105 9D 0 0.00020 0.00027 -0.00027 0.00000 -0.00010 106 9D+1 -0.00027 -0.00008 0.00002 -0.00001 -0.00016 107 9D-1 0.00027 0.00002 -0.00008 -0.00001 0.00016 108 9D+2 0.00000 0.00001 0.00001 -0.00012 0.00000 109 9D-2 -0.00010 0.00016 -0.00016 0.00000 -0.00019 110 6 O 1S 0.00007 0.00015 -0.00004 0.00013 -0.00004 111 2S 0.00018 0.00034 -0.00008 0.00031 -0.00008 112 3S -0.00030 -0.00056 0.00006 -0.00052 0.00006 113 4S -0.00044 -0.00074 0.00000 -0.00076 0.00000 114 5S -0.00109 -0.00185 0.00030 -0.00189 0.00030 115 6PX 0.00090 0.00032 0.00063 0.00071 0.00058 116 6PY -0.00014 0.00125 -0.00128 -0.00024 -0.00128 117 6PZ 0.00016 0.00032 0.00058 0.00114 0.00063 118 7PX 0.00077 0.00029 0.00050 0.00062 0.00047 119 7PY -0.00006 0.00110 -0.00105 -0.00011 -0.00105 120 7PZ 0.00015 0.00029 0.00047 0.00098 0.00050 121 8PX 0.00098 0.00021 0.00080 0.00064 0.00067 122 8PY -0.00043 0.00074 -0.00153 -0.00074 -0.00153 123 8PZ 0.00007 0.00021 0.00067 0.00117 0.00080 124 9D 0 -0.00001 0.00001 0.00002 0.00002 0.00001 125 9D+1 -0.00001 -0.00002 0.00001 -0.00001 0.00001 126 9D-1 -0.00002 -0.00003 0.00000 -0.00002 -0.00001 127 9D+2 0.00002 0.00002 0.00002 0.00001 0.00002 128 9D-2 -0.00001 -0.00003 -0.00001 -0.00003 0.00000 129 7 O 1S 0.00000 -0.00246 0.00246 0.00000 0.00246 130 2S 0.00000 -0.00575 0.00575 0.00000 0.00575 131 3S 0.00000 0.00863 -0.00863 0.00000 -0.00863 132 4S 0.00000 0.00834 -0.00834 0.00000 -0.00834 133 5S 0.00000 0.00158 -0.00158 0.00000 -0.00158 134 6PX 0.01210 0.00228 -0.02315 -0.02095 -0.00228 135 6PY -0.01210 -0.02315 0.00228 -0.02095 0.00228 136 6PZ -0.02420 0.00228 -0.00228 0.00000 -0.02315 137 7PX 0.00999 0.00064 -0.01787 -0.01730 -0.00064 138 7PY -0.00999 -0.01787 0.00064 -0.01730 0.00064 139 7PZ -0.01998 0.00064 -0.00064 0.00000 -0.01787 140 8PX 0.00591 -0.00101 -0.00911 -0.01023 0.00101 141 8PY -0.00591 -0.00911 -0.00101 -0.01023 -0.00101 142 8PZ -0.01181 -0.00101 0.00101 0.00000 -0.00911 143 9D 0 -0.00159 -0.00046 0.00046 0.00000 -0.00092 144 9D+1 -0.00046 0.00015 -0.00095 -0.00079 -0.00095 145 9D-1 0.00046 -0.00095 0.00015 -0.00079 0.00095 146 9D+2 0.00000 -0.00080 -0.00080 -0.00159 0.00000 147 9D-2 -0.00092 -0.00095 0.00095 0.00000 0.00015 148 8 O 1S -0.00015 0.00004 -0.00004 0.00000 -0.00015 149 2S -0.00036 0.00008 -0.00008 0.00000 -0.00034 150 3S 0.00060 -0.00006 0.00006 0.00000 0.00056 151 4S 0.00087 0.00000 0.00000 0.00000 0.00074 152 5S 0.00218 -0.00030 0.00030 0.00000 0.00185 153 6PX -0.00107 -0.00058 0.00063 -0.00043 -0.00032 154 6PY 0.00107 0.00063 -0.00058 -0.00043 0.00032 155 6PZ -0.00028 -0.00128 0.00128 0.00000 0.00125 156 7PX -0.00092 -0.00047 0.00050 -0.00036 -0.00029 157 7PY 0.00092 0.00050 -0.00047 -0.00036 0.00029 158 7PZ -0.00012 -0.00105 0.00105 0.00000 0.00110 159 8PX -0.00105 -0.00067 0.00080 -0.00053 -0.00021 160 8PY 0.00105 0.00080 -0.00067 -0.00053 0.00021 161 8PZ -0.00086 -0.00153 0.00153 0.00000 0.00074 162 9D 0 0.00002 0.00002 -0.00002 0.00000 0.00002 163 9D+1 -0.00003 0.00000 0.00001 0.00001 -0.00003 164 9D-1 0.00003 0.00001 0.00000 0.00001 0.00003 165 9D+2 0.00000 -0.00001 -0.00001 -0.00002 0.00000 166 9D-2 -0.00001 0.00001 -0.00001 0.00000 -0.00002 167 9 O 1S 0.00007 0.00004 -0.00015 -0.00013 -0.00004 168 2S 0.00018 0.00008 -0.00034 -0.00031 -0.00008 169 3S -0.00030 -0.00006 0.00056 0.00052 0.00006 170 4S -0.00044 0.00000 0.00074 0.00076 0.00000 171 5S -0.00109 -0.00030 0.00185 0.00189 0.00030 172 6PX 0.00014 -0.00128 0.00125 -0.00024 0.00128 173 6PY -0.00090 0.00063 0.00032 0.00071 -0.00058 174 6PZ 0.00016 -0.00058 -0.00032 -0.00114 0.00063 175 7PX 0.00006 -0.00105 0.00110 -0.00011 0.00105 176 7PY -0.00077 0.00050 0.00029 0.00062 -0.00047 177 7PZ 0.00015 -0.00047 -0.00029 -0.00098 0.00050 178 8PX 0.00043 -0.00153 0.00074 -0.00074 0.00153 179 8PY -0.00098 0.00080 0.00021 0.00064 -0.00067 180 8PZ 0.00007 -0.00067 -0.00021 -0.00117 0.00080 181 9D 0 -0.00001 -0.00002 -0.00001 -0.00002 0.00001 182 9D+1 0.00002 0.00000 -0.00003 -0.00002 0.00001 183 9D-1 0.00001 0.00001 -0.00002 -0.00001 -0.00001 184 9D+2 -0.00002 0.00002 0.00002 0.00001 -0.00002 185 9D-2 -0.00001 0.00001 0.00003 0.00003 0.00000 91 92 93 94 95 91 5 C 1S 0.45858 92 2S 0.61736 0.84599 93 3S -0.04613 -0.12732 0.29183 94 4S -0.11653 -0.22850 0.31816 0.43895 95 5S -0.01664 -0.04431 0.09181 0.14954 0.07254 96 6PX 0.00661 0.01378 -0.01173 -0.10037 -0.05782 97 6PY -0.00661 -0.01378 0.01173 0.10037 0.05782 98 6PZ -0.00661 -0.01378 0.01173 0.10037 0.05782 99 7PX 0.01057 0.02183 -0.02918 -0.07342 -0.03509 100 7PY -0.01057 -0.02183 0.02918 0.07342 0.03509 101 7PZ -0.01057 -0.02183 0.02918 0.07342 0.03509 102 8PX -0.00218 -0.00169 -0.00653 0.00077 0.00656 103 8PY 0.00218 0.00169 0.00653 -0.00077 -0.00656 104 8PZ 0.00218 0.00169 0.00653 -0.00077 -0.00656 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00074 0.00255 -0.00781 -0.00019 0.00323 107 9D-1 -0.00074 -0.00255 0.00781 0.00019 -0.00323 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00074 0.00255 -0.00781 -0.00019 0.00323 110 6 O 1S 0.00015 0.00034 -0.00073 -0.00029 -0.00255 111 2S 0.00037 0.00082 -0.00165 -0.00119 -0.00459 112 3S -0.00069 -0.00147 0.00256 0.00348 0.00388 113 4S -0.00075 -0.00179 0.00357 0.00495 0.00387 114 5S -0.00269 -0.00461 0.00389 0.01022 0.00959 115 6PX 0.00341 0.00760 -0.01395 -0.01908 -0.02280 116 6PY -0.00079 -0.00175 0.00295 0.00369 0.00215 117 6PZ -0.00079 -0.00175 0.00295 0.00369 0.00215 118 7PX 0.00286 0.00638 -0.01165 -0.01627 -0.01863 119 7PY -0.00056 -0.00139 0.00285 0.00330 0.00218 120 7PZ -0.00056 -0.00139 0.00285 0.00330 0.00218 121 8PX 0.00329 0.00676 -0.01003 -0.01723 -0.01795 122 8PY -0.00084 -0.00170 0.00238 0.00406 0.00422 123 8PZ -0.00084 -0.00170 0.00238 0.00406 0.00422 124 9D 0 0.00001 0.00003 -0.00010 0.00008 -0.00009 125 9D+1 -0.00005 -0.00009 0.00018 0.00011 0.00034 126 9D-1 -0.00003 -0.00004 0.00000 0.00024 0.00018 127 9D+2 -0.00002 -0.00005 0.00018 -0.00013 0.00016 128 9D-2 -0.00005 -0.00009 0.00018 0.00011 0.00034 129 7 O 1S 0.00015 0.00034 -0.00073 -0.00029 -0.00255 130 2S 0.00037 0.00082 -0.00165 -0.00119 -0.00459 131 3S -0.00069 -0.00147 0.00256 0.00348 0.00388 132 4S -0.00075 -0.00179 0.00357 0.00495 0.00387 133 5S -0.00269 -0.00461 0.00389 0.01022 0.00959 134 6PX 0.00079 0.00175 -0.00295 -0.00369 -0.00215 135 6PY -0.00079 -0.00175 0.00295 0.00369 0.00215 136 6PZ -0.00341 -0.00760 0.01395 0.01908 0.02280 137 7PX 0.00056 0.00139 -0.00285 -0.00330 -0.00218 138 7PY -0.00056 -0.00139 0.00285 0.00330 0.00218 139 7PZ -0.00286 -0.00638 0.01165 0.01627 0.01863 140 8PX 0.00084 0.00170 -0.00238 -0.00406 -0.00422 141 8PY -0.00084 -0.00170 0.00238 0.00406 0.00422 142 8PZ -0.00329 -0.00676 0.01003 0.01723 0.01795 143 9D 0 -0.00002 -0.00005 0.00021 -0.00015 0.00018 144 9D+1 -0.00005 -0.00009 0.00018 0.00011 0.00034 145 9D-1 0.00005 0.00009 -0.00018 -0.00011 -0.00034 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00003 0.00004 0.00000 -0.00024 -0.00018 148 8 O 1S 0.00308 0.00592 -0.00716 0.01018 -0.00329 149 2S 0.00692 0.01328 -0.01709 0.02775 -0.00236 150 3S -0.00693 -0.01408 0.02331 -0.05687 -0.01341 151 4S -0.01252 -0.01702 0.00062 -0.08354 -0.00963 152 5S 0.03116 0.06048 -0.08612 -0.12949 -0.03477 153 6PX 0.02301 0.04868 -0.09111 -0.03281 0.02514 154 6PY -0.02301 -0.04868 0.09111 0.03281 -0.02514 155 6PZ -0.02301 -0.04868 0.09111 0.03281 -0.02514 156 7PX 0.01758 0.03523 -0.06029 -0.01964 0.01916 157 7PY -0.01758 -0.03523 0.06029 0.01964 -0.01916 158 7PZ -0.01758 -0.03523 0.06029 0.01964 -0.01916 159 8PX 0.00149 0.00465 -0.01525 0.00213 0.01280 160 8PY -0.00149 -0.00465 0.01525 -0.00213 -0.01280 161 8PZ -0.00149 -0.00465 0.01525 -0.00213 -0.01280 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00264 0.00497 -0.00713 -0.00295 0.00108 164 9D-1 -0.00264 -0.00497 0.00713 0.00295 -0.00108 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00264 0.00497 -0.00713 -0.00295 0.00108 167 9 O 1S 0.00015 0.00034 -0.00073 -0.00029 -0.00255 168 2S 0.00037 0.00082 -0.00165 -0.00119 -0.00459 169 3S -0.00069 -0.00147 0.00256 0.00348 0.00388 170 4S -0.00075 -0.00179 0.00357 0.00495 0.00387 171 5S -0.00269 -0.00461 0.00389 0.01022 0.00959 172 6PX 0.00079 0.00175 -0.00295 -0.00369 -0.00215 173 6PY -0.00341 -0.00760 0.01395 0.01908 0.02280 174 6PZ -0.00079 -0.00175 0.00295 0.00369 0.00215 175 7PX 0.00056 0.00139 -0.00285 -0.00330 -0.00218 176 7PY -0.00286 -0.00638 0.01165 0.01627 0.01863 177 7PZ -0.00056 -0.00139 0.00285 0.00330 0.00218 178 8PX 0.00084 0.00170 -0.00238 -0.00406 -0.00422 179 8PY -0.00329 -0.00676 0.01003 0.01723 0.01795 180 8PZ -0.00084 -0.00170 0.00238 0.00406 0.00422 181 9D 0 0.00001 0.00003 -0.00010 0.00008 -0.00009 182 9D+1 0.00003 0.00004 0.00000 -0.00024 -0.00018 183 9D-1 0.00005 0.00009 -0.00018 -0.00011 -0.00034 184 9D+2 0.00002 0.00005 -0.00018 0.00013 -0.00016 185 9D-2 -0.00005 -0.00009 0.00018 0.00011 0.00034 96 97 98 99 100 96 6PX 0.18923 97 6PY -0.05424 0.18923 98 6PZ -0.05424 0.05424 0.18923 99 7PX 0.11838 -0.01491 -0.01491 0.08091 100 7PY -0.01491 0.11838 0.01491 -0.00072 0.08091 101 7PZ -0.01491 0.01491 0.11838 -0.00072 0.00072 102 8PX 0.02079 0.02170 0.02170 0.02057 0.01526 103 8PY 0.02170 0.02079 -0.02170 0.01526 0.02057 104 8PZ 0.02170 -0.02170 0.02079 0.01526 -0.01526 105 9D 0 -0.00580 0.00580 -0.01161 -0.00406 0.00406 106 9D+1 -0.01157 0.00145 0.01157 -0.00549 -0.00158 107 9D-1 0.00145 -0.01157 -0.01157 -0.00158 -0.00549 108 9D+2 0.01005 0.01005 0.00000 0.00704 0.00704 109 9D-2 -0.01157 0.01157 0.00145 -0.00549 0.00549 110 6 O 1S 0.00088 -0.00008 -0.00008 0.00023 0.00023 111 2S 0.00212 -0.00018 -0.00018 0.00075 0.00055 112 3S -0.00411 0.00005 0.00005 -0.00231 -0.00113 113 4S -0.00244 0.00204 0.00204 -0.00095 0.00036 114 5S -0.01357 0.00207 0.00207 -0.01057 -0.00082 115 6PX 0.00516 -0.00911 -0.00911 -0.00285 -0.00100 116 6PY 0.00387 0.00257 0.00710 0.00454 0.00153 117 6PZ 0.00387 0.00710 0.00257 0.00454 0.00445 118 7PX 0.00409 -0.00829 -0.00829 -0.00237 -0.00142 119 7PY 0.00279 0.00178 0.00543 0.00354 0.00092 120 7PZ 0.00279 0.00543 0.00178 0.00354 0.00326 121 8PX 0.00210 -0.00855 -0.00855 -0.00292 -0.00376 122 8PY 0.00292 0.00096 0.00603 0.00398 0.00046 123 8PZ 0.00292 0.00603 0.00096 0.00398 0.00420 124 9D 0 -0.00002 -0.00001 -0.00002 -0.00011 0.00015 125 9D+1 -0.00010 0.00005 0.00005 0.00007 -0.00011 126 9D-1 -0.00013 0.00003 0.00003 -0.00010 0.00008 127 9D+2 0.00004 0.00003 0.00003 0.00018 -0.00018 128 9D-2 -0.00010 0.00005 0.00005 0.00007 -0.00014 129 7 O 1S 0.00008 -0.00008 -0.00088 -0.00023 0.00023 130 2S 0.00018 -0.00018 -0.00212 -0.00055 0.00055 131 3S -0.00005 0.00005 0.00411 0.00113 -0.00113 132 4S -0.00204 0.00204 0.00244 -0.00036 0.00036 133 5S -0.00207 0.00207 0.01357 0.00082 -0.00082 134 6PX 0.00257 -0.00710 0.00387 0.00153 -0.00445 135 6PY -0.00710 0.00257 -0.00387 -0.00445 0.00153 136 6PZ -0.00911 0.00911 0.00516 -0.00100 0.00100 137 7PX 0.00178 -0.00543 0.00279 0.00092 -0.00326 138 7PY -0.00543 0.00178 -0.00279 -0.00326 0.00092 139 7PZ -0.00829 0.00829 0.00409 -0.00142 0.00142 140 8PX 0.00096 -0.00603 0.00292 0.00046 -0.00420 141 8PY -0.00603 0.00096 -0.00292 -0.00420 0.00046 142 8PZ -0.00855 0.00855 0.00210 -0.00376 0.00376 143 9D 0 -0.00003 0.00003 -0.00004 0.00023 -0.00023 144 9D+1 -0.00005 0.00005 0.00010 0.00014 -0.00011 145 9D-1 0.00005 -0.00005 -0.00010 -0.00011 0.00014 146 9D+2 0.00001 0.00001 0.00000 0.00004 0.00004 147 9D-2 0.00003 -0.00003 -0.00013 0.00008 -0.00008 148 8 O 1S -0.01445 0.01445 0.01445 -0.00192 0.00192 149 2S -0.03432 0.03432 0.03432 -0.00534 0.00534 150 3S 0.05514 -0.05514 -0.05514 0.01208 -0.01208 151 4S 0.04632 -0.04632 -0.04632 0.00422 -0.00422 152 5S 0.01245 -0.01245 -0.01245 0.00371 -0.00371 153 6PX 0.04330 0.14831 0.14831 0.05479 0.08403 154 6PY 0.14831 0.04330 -0.14831 0.08403 0.05479 155 6PZ 0.14831 -0.14831 0.04330 0.08403 -0.08403 156 7PX 0.04649 0.11216 0.11216 0.04987 0.06514 157 7PY 0.11216 0.04649 -0.11216 0.06514 0.04987 158 7PZ 0.11216 -0.11216 0.04649 0.06514 -0.06514 159 8PX 0.02271 0.04957 0.04957 0.02006 0.02946 160 8PY 0.04957 0.02271 -0.04957 0.02946 0.02006 161 8PZ 0.04957 -0.04957 0.02271 0.02946 -0.02946 162 9D 0 0.00495 -0.00495 0.00989 0.00368 -0.00368 163 9D+1 -0.00282 0.01139 0.00282 -0.00013 0.00651 164 9D-1 0.01139 -0.00282 -0.00282 0.00651 -0.00013 165 9D+2 -0.00857 -0.00857 0.00000 -0.00638 -0.00638 166 9D-2 -0.00282 0.00282 0.01139 -0.00013 0.00013 167 9 O 1S 0.00008 -0.00088 -0.00008 -0.00023 -0.00023 168 2S 0.00018 -0.00212 -0.00018 -0.00055 -0.00075 169 3S -0.00005 0.00411 0.00005 0.00113 0.00231 170 4S -0.00204 0.00244 0.00204 -0.00036 0.00095 171 5S -0.00207 0.01357 0.00207 0.00082 0.01057 172 6PX 0.00257 0.00387 -0.00710 0.00153 0.00454 173 6PY -0.00911 0.00516 0.00911 -0.00100 -0.00285 174 6PZ -0.00710 -0.00387 0.00257 -0.00445 -0.00454 175 7PX 0.00178 0.00279 -0.00543 0.00092 0.00354 176 7PY -0.00829 0.00409 0.00829 -0.00142 -0.00237 177 7PZ -0.00543 -0.00279 0.00178 -0.00326 -0.00354 178 8PX 0.00096 0.00292 -0.00603 0.00046 0.00398 179 8PY -0.00855 0.00210 0.00855 -0.00376 -0.00292 180 8PZ -0.00603 -0.00292 0.00096 -0.00420 -0.00398 181 9D 0 0.00001 0.00002 -0.00002 -0.00015 0.00011 182 9D+1 0.00003 -0.00013 -0.00003 0.00008 -0.00010 183 9D-1 0.00005 -0.00010 -0.00005 -0.00011 0.00007 184 9D+2 0.00003 0.00004 -0.00003 -0.00018 0.00018 185 9D-2 -0.00005 0.00010 0.00005 0.00014 -0.00007 101 102 103 104 105 101 7PZ 0.08091 102 8PX 0.01526 0.02088 103 8PY -0.01526 0.00581 0.02088 104 8PZ 0.02057 0.00581 -0.00581 0.02088 105 9D 0 -0.00813 -0.00027 0.00027 -0.00054 0.00261 106 9D+1 0.00549 0.00101 -0.00161 -0.00101 -0.00074 107 9D-1 -0.00549 -0.00161 0.00101 0.00101 0.00074 108 9D+2 0.00000 0.00046 0.00046 0.00000 0.00000 109 9D-2 -0.00158 0.00101 -0.00101 -0.00161 0.00149 110 6 O 1S 0.00023 0.00045 0.00017 0.00017 0.00007 111 2S 0.00055 0.00109 0.00051 0.00051 0.00018 112 3S -0.00113 -0.00216 -0.00138 -0.00138 -0.00030 113 4S 0.00036 -0.00156 -0.00035 -0.00035 -0.00044 114 5S -0.00082 -0.00926 -0.00610 -0.00610 -0.00109 115 6PX -0.00100 -0.00867 0.00172 0.00172 -0.00014 116 6PY 0.00445 0.00682 0.00142 0.00605 0.00090 117 6PZ 0.00153 0.00682 0.00605 0.00142 0.00016 118 7PX -0.00142 -0.00705 0.00118 0.00118 -0.00006 119 7PY 0.00326 0.00556 0.00099 0.00475 0.00077 120 7PZ 0.00092 0.00556 0.00475 0.00099 0.00015 121 8PX -0.00376 -0.01031 0.00096 0.00096 -0.00043 122 8PY 0.00420 0.00709 -0.00118 0.00468 0.00098 123 8PZ 0.00046 0.00709 0.00468 -0.00118 0.00007 124 9D 0 0.00008 0.00000 0.00001 -0.00013 -0.00001 125 9D+1 -0.00014 0.00001 -0.00004 -0.00011 -0.00002 126 9D-1 0.00008 0.00003 -0.00017 -0.00017 -0.00001 127 9D+2 -0.00022 -0.00001 0.00015 0.00007 -0.00002 128 9D-2 -0.00011 0.00001 -0.00011 -0.00004 -0.00001 129 7 O 1S -0.00023 -0.00017 0.00017 -0.00045 -0.00015 130 2S -0.00075 -0.00051 0.00051 -0.00109 -0.00036 131 3S 0.00231 0.00138 -0.00138 0.00216 0.00060 132 4S 0.00095 0.00035 -0.00035 0.00156 0.00087 133 5S 0.01057 0.00610 -0.00610 0.00926 0.00218 134 6PX 0.00454 0.00142 -0.00605 0.00682 0.00107 135 6PY -0.00454 -0.00605 0.00142 -0.00682 -0.00107 136 6PZ -0.00285 0.00172 -0.00172 -0.00867 -0.00028 137 7PX 0.00354 0.00099 -0.00475 0.00556 0.00092 138 7PY -0.00354 -0.00475 0.00099 -0.00556 -0.00092 139 7PZ -0.00237 0.00118 -0.00118 -0.00705 -0.00012 140 8PX 0.00398 -0.00118 -0.00468 0.00709 0.00105 141 8PY -0.00398 -0.00468 -0.00118 -0.00709 -0.00105 142 8PZ -0.00292 0.00096 -0.00096 -0.01031 -0.00086 143 9D 0 -0.00021 -0.00012 0.00012 0.00001 0.00002 144 9D+1 -0.00007 0.00011 -0.00004 -0.00001 0.00003 145 9D-1 0.00007 -0.00004 0.00011 0.00001 -0.00003 146 9D+2 0.00000 0.00008 0.00008 0.00000 0.00000 147 9D-2 -0.00010 -0.00017 0.00017 0.00003 -0.00001 148 8 O 1S 0.00192 -0.00315 0.00315 0.00315 0.00000 149 2S 0.00534 -0.00530 0.00530 0.00530 0.00000 150 3S -0.01208 0.00200 -0.00200 -0.00200 0.00000 151 4S -0.00422 0.00691 -0.00691 -0.00691 0.00000 152 5S -0.00371 0.00177 -0.00177 -0.00177 0.00000 153 6PX 0.08403 0.03060 -0.00272 -0.00272 -0.01210 154 6PY -0.08403 -0.00272 0.03060 0.00272 0.01210 155 6PZ 0.05479 -0.00272 0.00272 0.03060 -0.02420 156 7PX 0.06514 0.02408 -0.00073 -0.00073 -0.00999 157 7PY -0.06514 -0.00073 0.02408 0.00073 0.00999 158 7PZ 0.04987 -0.00073 0.00073 0.02408 -0.01998 159 8PX 0.02946 0.00347 -0.00434 -0.00434 -0.00591 160 8PY -0.02946 -0.00434 0.00347 0.00434 0.00591 161 8PZ 0.02006 -0.00434 0.00434 0.00347 -0.01181 162 9D 0 0.00736 0.00112 -0.00112 0.00223 -0.00159 163 9D+1 0.00013 0.00130 0.00064 -0.00130 0.00046 164 9D-1 -0.00013 0.00064 0.00130 0.00130 -0.00046 165 9D+2 0.00000 -0.00193 -0.00193 0.00000 0.00000 166 9D-2 0.00651 0.00130 -0.00130 0.00064 -0.00092 167 9 O 1S 0.00023 -0.00017 -0.00045 0.00017 0.00007 168 2S 0.00055 -0.00051 -0.00109 0.00051 0.00018 169 3S -0.00113 0.00138 0.00216 -0.00138 -0.00030 170 4S 0.00036 0.00035 0.00156 -0.00035 -0.00044 171 5S -0.00082 0.00610 0.00926 -0.00610 -0.00109 172 6PX -0.00445 0.00142 0.00682 -0.00605 -0.00090 173 6PY 0.00100 0.00172 -0.00867 -0.00172 0.00014 174 6PZ 0.00153 -0.00605 -0.00682 0.00142 0.00016 175 7PX -0.00326 0.00099 0.00556 -0.00475 -0.00077 176 7PY 0.00142 0.00118 -0.00705 -0.00118 0.00006 177 7PZ 0.00092 -0.00475 -0.00556 0.00099 0.00015 178 8PX -0.00420 -0.00118 0.00709 -0.00468 -0.00098 179 8PY 0.00376 0.00096 -0.01031 -0.00096 0.00043 180 8PZ 0.00046 -0.00468 -0.00709 -0.00118 0.00007 181 9D 0 0.00008 -0.00001 0.00000 -0.00013 -0.00001 182 9D+1 -0.00008 -0.00017 0.00003 0.00017 0.00001 183 9D-1 0.00014 -0.00004 0.00001 0.00011 0.00002 184 9D+2 0.00022 0.00015 -0.00001 -0.00007 0.00002 185 9D-2 -0.00011 0.00011 -0.00001 -0.00004 -0.00001 106 107 108 109 110 106 9D+1 0.00197 107 9D-1 -0.00066 0.00197 108 9D+2 -0.00129 -0.00129 0.00261 109 9D-2 0.00066 -0.00066 0.00000 0.00197 110 6 O 1S -0.00004 0.00015 -0.00013 -0.00004 0.40139 111 2S -0.00008 0.00034 -0.00031 -0.00008 0.61059 112 3S 0.00006 -0.00056 0.00052 0.00006 -0.05000 113 4S 0.00000 -0.00074 0.00076 0.00000 -0.12691 114 5S 0.00030 -0.00185 0.00189 0.00030 -0.03092 115 6PX -0.00128 0.00125 0.00024 -0.00128 -0.00731 116 6PY 0.00063 0.00032 -0.00071 0.00058 -0.00731 117 6PZ 0.00058 0.00032 -0.00114 0.00063 -0.00731 118 7PX -0.00105 0.00110 0.00011 -0.00105 -0.00411 119 7PY 0.00050 0.00029 -0.00062 0.00047 -0.00411 120 7PZ 0.00047 0.00029 -0.00098 0.00050 -0.00411 121 8PX -0.00153 0.00074 0.00074 -0.00153 -0.00745 122 8PY 0.00080 0.00021 -0.00064 0.00067 -0.00745 123 8PZ 0.00067 0.00021 -0.00117 0.00080 -0.00745 124 9D 0 0.00002 0.00001 -0.00002 0.00001 0.00000 125 9D+1 0.00000 -0.00003 0.00002 -0.00001 -0.00071 126 9D-1 0.00001 -0.00002 0.00001 0.00001 -0.00071 127 9D+2 -0.00002 -0.00002 0.00001 -0.00002 0.00000 128 9D-2 -0.00001 -0.00003 0.00003 0.00000 -0.00071 129 7 O 1S -0.00004 0.00004 0.00000 -0.00015 -0.00003 130 2S -0.00008 0.00008 0.00000 -0.00034 -0.00008 131 3S 0.00006 -0.00006 0.00000 0.00056 0.00018 132 4S 0.00000 0.00000 0.00000 0.00074 0.00007 133 5S 0.00030 -0.00030 0.00000 0.00185 0.00097 134 6PX -0.00058 0.00063 0.00043 0.00032 -0.00022 135 6PY 0.00063 -0.00058 0.00043 -0.00032 -0.00087 136 6PZ 0.00128 -0.00128 0.00000 0.00125 -0.00022 137 7PX -0.00047 0.00050 0.00036 0.00029 -0.00016 138 7PY 0.00050 -0.00047 0.00036 -0.00029 -0.00073 139 7PZ 0.00105 -0.00105 0.00000 0.00110 -0.00016 140 8PX -0.00067 0.00080 0.00053 0.00021 -0.00010 141 8PY 0.00080 -0.00067 0.00053 -0.00021 -0.00077 142 8PZ 0.00153 -0.00153 0.00000 0.00074 -0.00010 143 9D 0 -0.00002 0.00002 0.00000 0.00002 0.00001 144 9D+1 0.00000 0.00001 -0.00001 0.00003 0.00001 145 9D-1 0.00001 0.00000 -0.00001 -0.00003 0.00000 146 9D+2 0.00001 0.00001 -0.00002 0.00000 0.00001 147 9D-2 -0.00001 0.00001 0.00000 -0.00002 0.00000 148 8 O 1S 0.00246 -0.00246 0.00000 0.00246 -0.00003 149 2S 0.00575 -0.00575 0.00000 0.00575 -0.00008 150 3S -0.00863 0.00863 0.00000 -0.00863 0.00018 151 4S -0.00834 0.00834 0.00000 -0.00834 0.00007 152 5S -0.00158 0.00158 0.00000 -0.00158 0.00097 153 6PX 0.00228 -0.02315 0.02095 0.00228 -0.00087 154 6PY -0.02315 0.00228 0.02095 -0.00228 -0.00022 155 6PZ -0.00228 0.00228 0.00000 -0.02315 -0.00022 156 7PX 0.00064 -0.01787 0.01730 0.00064 -0.00073 157 7PY -0.01787 0.00064 0.01730 -0.00064 -0.00016 158 7PZ -0.00064 0.00064 0.00000 -0.01787 -0.00016 159 8PX -0.00101 -0.00911 0.01023 -0.00101 -0.00077 160 8PY -0.00911 -0.00101 0.01023 0.00101 -0.00010 161 8PZ 0.00101 -0.00101 0.00000 -0.00911 -0.00010 162 9D 0 0.00046 -0.00046 0.00000 -0.00092 0.00001 163 9D+1 0.00015 -0.00095 0.00079 0.00095 0.00000 164 9D-1 -0.00095 0.00015 0.00079 -0.00095 0.00001 165 9D+2 0.00080 0.00080 -0.00159 0.00000 -0.00001 166 9D-2 0.00095 -0.00095 0.00000 0.00015 0.00000 167 9 O 1S -0.00015 0.00004 0.00013 -0.00004 -0.00003 168 2S -0.00034 0.00008 0.00031 -0.00008 -0.00008 169 3S 0.00056 -0.00006 -0.00052 0.00006 0.00018 170 4S 0.00074 0.00000 -0.00076 0.00000 0.00007 171 5S 0.00185 -0.00030 -0.00189 0.00030 0.00097 172 6PX 0.00032 0.00063 -0.00071 -0.00058 -0.00022 173 6PY 0.00125 -0.00128 0.00024 0.00128 -0.00022 174 6PZ -0.00032 -0.00058 0.00114 0.00063 -0.00087 175 7PX 0.00029 0.00050 -0.00062 -0.00047 -0.00016 176 7PY 0.00110 -0.00105 0.00011 0.00105 -0.00016 177 7PZ -0.00029 -0.00047 0.00098 0.00050 -0.00073 178 8PX 0.00021 0.00080 -0.00064 -0.00067 -0.00010 179 8PY 0.00074 -0.00153 0.00074 0.00153 -0.00010 180 8PZ -0.00021 -0.00067 0.00117 0.00080 -0.00077 181 9D 0 -0.00001 -0.00002 0.00002 0.00001 -0.00001 182 9D+1 -0.00002 0.00001 0.00001 -0.00001 0.00000 183 9D-1 -0.00003 0.00000 0.00002 0.00001 0.00000 184 9D+2 -0.00002 -0.00002 0.00001 0.00002 0.00000 185 9D-2 0.00003 0.00001 -0.00003 0.00000 0.00001 111 112 113 114 115 111 2S 0.94588 112 3S -0.14483 0.28398 113 4S -0.28080 0.36929 0.50235 114 5S -0.08715 0.16620 0.23376 0.14838 115 6PX -0.01677 0.02094 0.06724 0.07036 0.36770 116 6PY -0.01677 0.02094 0.06724 0.07036 0.01510 117 6PZ -0.01677 0.02094 0.06724 0.07036 0.01510 118 7PX -0.01081 0.01695 0.04957 0.04933 0.28678 119 7PY -0.01081 0.01695 0.04957 0.04933 -0.00461 120 7PZ -0.01081 0.01695 0.04957 0.04933 -0.00461 121 8PX -0.01625 0.01971 0.03774 0.02486 0.14702 122 8PY -0.01625 0.01971 0.03774 0.02486 -0.01395 123 8PZ -0.01625 0.01971 0.03774 0.02486 -0.01395 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00811 125 9D+1 -0.00163 0.00245 0.00077 -0.00267 -0.01275 126 9D-1 -0.00163 0.00245 0.00077 -0.00267 0.00129 127 9D+2 0.00000 0.00000 0.00000 0.00000 -0.01405 128 9D-2 -0.00163 0.00245 0.00077 -0.00267 -0.01275 129 7 O 1S -0.00008 0.00018 0.00007 0.00097 0.00022 130 2S -0.00021 0.00037 0.00037 0.00186 0.00051 131 3S 0.00037 -0.00044 -0.00110 -0.00198 -0.00071 132 4S 0.00037 -0.00110 -0.00203 -0.00155 -0.00203 133 5S 0.00186 -0.00198 -0.00155 -0.00324 -0.00053 134 6PX -0.00051 0.00071 0.00203 0.00053 -0.00219 135 6PY -0.00210 0.00338 0.00659 0.01604 -0.00441 136 6PZ -0.00051 0.00071 0.00203 0.00053 -0.00596 137 7PX -0.00037 0.00049 0.00165 0.00094 -0.00176 138 7PY -0.00179 0.00298 0.00558 0.01275 -0.00350 139 7PZ -0.00037 0.00049 0.00165 0.00094 -0.00499 140 8PX -0.00031 0.00079 0.00125 0.00346 -0.00196 141 8PY -0.00182 0.00315 0.00411 0.01313 -0.00593 142 8PZ -0.00031 0.00079 0.00125 0.00346 -0.00567 143 9D 0 0.00001 -0.00003 0.00010 0.00001 0.00011 144 9D+1 0.00002 -0.00006 0.00007 -0.00023 -0.00001 145 9D-1 0.00000 0.00001 0.00010 0.00026 0.00006 146 9D+2 0.00002 -0.00005 0.00017 0.00002 0.00005 147 9D-2 0.00000 0.00001 0.00010 0.00026 0.00013 148 8 O 1S -0.00008 0.00018 0.00007 0.00097 -0.00087 149 2S -0.00021 0.00037 0.00037 0.00186 -0.00210 150 3S 0.00037 -0.00044 -0.00110 -0.00198 0.00338 151 4S 0.00037 -0.00110 -0.00203 -0.00155 0.00659 152 5S 0.00186 -0.00198 -0.00155 -0.00324 0.01604 153 6PX -0.00210 0.00338 0.00659 0.01604 -0.00358 154 6PY -0.00051 0.00071 0.00203 0.00053 0.00441 155 6PZ -0.00051 0.00071 0.00203 0.00053 0.00441 156 7PX -0.00179 0.00298 0.00558 0.01275 -0.00425 157 7PY -0.00037 0.00049 0.00165 0.00094 0.00439 158 7PZ -0.00037 0.00049 0.00165 0.00094 0.00439 159 8PX -0.00182 0.00315 0.00411 0.01313 -0.00018 160 8PY -0.00031 0.00079 0.00125 0.00346 0.00461 161 8PZ -0.00031 0.00079 0.00125 0.00346 0.00461 162 9D 0 0.00001 -0.00003 0.00010 0.00001 -0.00005 163 9D+1 0.00000 0.00001 0.00010 0.00026 -0.00024 164 9D-1 0.00002 -0.00006 0.00007 -0.00023 0.00016 165 9D+2 -0.00002 0.00005 -0.00017 -0.00002 0.00008 166 9D-2 0.00000 0.00001 0.00010 0.00026 -0.00024 167 9 O 1S -0.00008 0.00018 0.00007 0.00097 0.00022 168 2S -0.00021 0.00037 0.00037 0.00186 0.00051 169 3S 0.00037 -0.00044 -0.00110 -0.00198 -0.00071 170 4S 0.00037 -0.00110 -0.00203 -0.00155 -0.00203 171 5S 0.00186 -0.00198 -0.00155 -0.00324 -0.00053 172 6PX -0.00051 0.00071 0.00203 0.00053 -0.00219 173 6PY -0.00051 0.00071 0.00203 0.00053 -0.00596 174 6PZ -0.00210 0.00338 0.00659 0.01604 -0.00441 175 7PX -0.00037 0.00049 0.00165 0.00094 -0.00176 176 7PY -0.00037 0.00049 0.00165 0.00094 -0.00499 177 7PZ -0.00179 0.00298 0.00558 0.01275 -0.00350 178 8PX -0.00031 0.00079 0.00125 0.00346 -0.00196 179 8PY -0.00031 0.00079 0.00125 0.00346 -0.00567 180 8PZ -0.00182 0.00315 0.00411 0.01313 -0.00593 181 9D 0 -0.00002 0.00005 -0.00020 -0.00003 -0.00010 182 9D+1 0.00000 0.00001 0.00010 0.00026 0.00013 183 9D-1 0.00000 0.00001 0.00010 0.00026 0.00006 184 9D+2 0.00000 0.00000 0.00000 0.00000 -0.00007 185 9D-2 0.00002 -0.00006 0.00007 -0.00023 -0.00001 116 117 118 119 120 116 6PY 0.36770 117 6PZ 0.01510 0.36770 118 7PX -0.00461 -0.00461 0.22518 119 7PY 0.28678 -0.00461 -0.01564 0.22518 120 7PZ -0.00461 0.28678 -0.01564 -0.01564 0.22518 121 8PX -0.01395 -0.01395 0.11652 -0.01634 -0.01634 122 8PY 0.14702 -0.01395 -0.01634 0.11652 -0.01634 123 8PZ -0.01395 0.14702 -0.01634 -0.01634 0.11652 124 9D 0 0.00811 -0.01623 0.00671 0.00671 -0.01342 125 9D+1 0.00129 -0.01275 -0.00946 0.00216 -0.00946 126 9D-1 -0.01275 -0.01275 0.00216 -0.00946 -0.00946 127 9D+2 0.01405 0.00000 -0.01162 0.01162 0.00000 128 9D-2 -0.01275 0.00129 -0.00946 -0.00946 0.00216 129 7 O 1S -0.00087 0.00022 0.00016 -0.00073 0.00016 130 2S -0.00210 0.00051 0.00037 -0.00179 0.00037 131 3S 0.00338 -0.00071 -0.00049 0.00298 -0.00049 132 4S 0.00659 -0.00203 -0.00165 0.00558 -0.00165 133 5S 0.01604 -0.00053 -0.00094 0.01275 -0.00094 134 6PX 0.00441 -0.00596 -0.00176 0.00350 -0.00499 135 6PY -0.00358 -0.00441 -0.00439 -0.00425 -0.00439 136 6PZ 0.00441 -0.00219 -0.00499 0.00350 -0.00176 137 7PX 0.00439 -0.00499 -0.00149 0.00343 -0.00424 138 7PY -0.00425 -0.00350 -0.00343 -0.00449 -0.00343 139 7PZ 0.00439 -0.00176 -0.00424 0.00343 -0.00149 140 8PX 0.00461 -0.00567 -0.00166 0.00364 -0.00475 141 8PY -0.00018 -0.00593 -0.00508 -0.00066 -0.00508 142 8PZ 0.00461 -0.00196 -0.00475 0.00364 -0.00166 143 9D 0 -0.00005 -0.00001 0.00006 -0.00008 -0.00003 144 9D+1 0.00016 -0.00001 -0.00002 0.00011 -0.00002 145 9D-1 -0.00024 0.00013 0.00002 -0.00024 0.00007 146 9D+2 -0.00008 0.00013 0.00000 -0.00013 0.00006 147 9D-2 -0.00024 0.00006 0.00007 -0.00024 0.00002 148 8 O 1S 0.00022 0.00022 -0.00073 0.00016 0.00016 149 2S 0.00051 0.00051 -0.00179 0.00037 0.00037 150 3S -0.00071 -0.00071 0.00298 -0.00049 -0.00049 151 4S -0.00203 -0.00203 0.00558 -0.00165 -0.00165 152 5S -0.00053 -0.00053 0.01275 -0.00094 -0.00094 153 6PX -0.00441 -0.00441 -0.00425 -0.00439 -0.00439 154 6PY -0.00219 -0.00596 0.00350 -0.00176 -0.00499 155 6PZ -0.00596 -0.00219 0.00350 -0.00499 -0.00176 156 7PX -0.00350 -0.00350 -0.00449 -0.00343 -0.00343 157 7PY -0.00176 -0.00499 0.00343 -0.00149 -0.00424 158 7PZ -0.00499 -0.00176 0.00343 -0.00424 -0.00149 159 8PX -0.00593 -0.00593 -0.00066 -0.00508 -0.00508 160 8PY -0.00196 -0.00567 0.00364 -0.00166 -0.00475 161 8PZ -0.00567 -0.00196 0.00364 -0.00475 -0.00166 162 9D 0 0.00011 -0.00001 -0.00008 0.00006 -0.00003 163 9D+1 0.00006 0.00013 -0.00024 0.00002 0.00007 164 9D-1 -0.00001 -0.00001 0.00011 -0.00002 -0.00002 165 9D+2 -0.00005 -0.00013 0.00013 0.00000 -0.00006 166 9D-2 0.00013 0.00006 -0.00024 0.00007 0.00002 167 9 O 1S 0.00022 -0.00087 0.00016 0.00016 -0.00073 168 2S 0.00051 -0.00210 0.00037 0.00037 -0.00179 169 3S -0.00071 0.00338 -0.00049 -0.00049 0.00298 170 4S -0.00203 0.00659 -0.00165 -0.00165 0.00558 171 5S -0.00053 0.01604 -0.00094 -0.00094 0.01275 172 6PX -0.00596 0.00441 -0.00176 -0.00499 0.00350 173 6PY -0.00219 0.00441 -0.00499 -0.00176 0.00350 174 6PZ -0.00441 -0.00358 -0.00439 -0.00439 -0.00425 175 7PX -0.00499 0.00439 -0.00149 -0.00424 0.00343 176 7PY -0.00176 0.00439 -0.00424 -0.00149 0.00343 177 7PZ -0.00350 -0.00425 -0.00343 -0.00343 -0.00449 178 8PX -0.00567 0.00461 -0.00166 -0.00475 0.00364 179 8PY -0.00196 0.00461 -0.00475 -0.00166 0.00364 180 8PZ -0.00593 -0.00018 -0.00508 -0.00508 -0.00066 181 9D 0 -0.00010 0.00010 -0.00003 -0.00003 0.00015 182 9D+1 0.00006 -0.00024 0.00007 0.00002 -0.00024 183 9D-1 0.00013 -0.00024 0.00002 0.00007 -0.00024 184 9D+2 0.00007 0.00000 -0.00005 0.00005 0.00000 185 9D-2 -0.00001 0.00016 -0.00002 -0.00002 0.00011 121 122 123 124 125 121 8PX 0.06716 122 8PY -0.01389 0.06716 123 8PZ -0.01389 -0.01389 0.06716 124 9D 0 0.00344 0.00344 -0.00688 0.00118 125 9D+1 -0.00415 0.00180 -0.00415 0.00034 0.00094 126 9D-1 0.00180 -0.00415 -0.00415 0.00034 0.00035 127 9D+2 -0.00596 0.00596 0.00000 0.00000 0.00059 128 9D-2 -0.00415 -0.00415 0.00180 -0.00068 0.00035 129 7 O 1S 0.00010 -0.00077 0.00010 0.00001 0.00001 130 2S 0.00031 -0.00182 0.00031 0.00001 0.00002 131 3S -0.00079 0.00315 -0.00079 -0.00003 -0.00006 132 4S -0.00125 0.00411 -0.00125 0.00010 0.00007 133 5S -0.00346 0.01313 -0.00346 0.00001 -0.00023 134 6PX -0.00196 0.00593 -0.00567 -0.00011 0.00001 135 6PY -0.00461 -0.00018 -0.00461 -0.00005 0.00016 136 6PZ -0.00567 0.00593 -0.00196 0.00001 0.00001 137 7PX -0.00166 0.00508 -0.00475 -0.00006 0.00002 138 7PY -0.00364 -0.00066 -0.00364 -0.00008 0.00011 139 7PZ -0.00475 0.00508 -0.00166 0.00003 0.00002 140 8PX -0.00146 0.00537 -0.00590 -0.00008 0.00002 141 8PY -0.00537 0.00289 -0.00537 -0.00003 0.00012 142 8PZ -0.00590 0.00537 -0.00146 0.00008 0.00002 143 9D 0 0.00008 -0.00003 -0.00008 0.00000 0.00000 144 9D+1 -0.00002 0.00012 -0.00002 0.00000 0.00000 145 9D-1 -0.00002 -0.00017 0.00007 0.00000 0.00000 146 9D+2 -0.00004 -0.00005 0.00005 -0.00001 0.00000 147 9D-2 0.00007 -0.00017 -0.00002 0.00000 0.00000 148 8 O 1S -0.00077 0.00010 0.00010 0.00001 0.00000 149 2S -0.00182 0.00031 0.00031 0.00001 0.00000 150 3S 0.00315 -0.00079 -0.00079 -0.00003 -0.00001 151 4S 0.00411 -0.00125 -0.00125 0.00010 -0.00010 152 5S 0.01313 -0.00346 -0.00346 0.00001 -0.00026 153 6PX -0.00018 -0.00461 -0.00461 -0.00005 0.00024 154 6PY 0.00593 -0.00196 -0.00567 -0.00011 0.00006 155 6PZ 0.00593 -0.00567 -0.00196 0.00001 0.00013 156 7PX -0.00066 -0.00364 -0.00364 -0.00008 0.00024 157 7PY 0.00508 -0.00166 -0.00475 -0.00006 0.00002 158 7PZ 0.00508 -0.00475 -0.00166 0.00003 0.00007 159 8PX 0.00289 -0.00537 -0.00537 -0.00003 0.00017 160 8PY 0.00537 -0.00146 -0.00590 -0.00008 -0.00002 161 8PZ 0.00537 -0.00590 -0.00146 0.00008 0.00007 162 9D 0 -0.00003 0.00008 -0.00008 0.00000 0.00000 163 9D+1 -0.00017 -0.00002 0.00007 0.00000 0.00000 164 9D-1 0.00012 -0.00002 -0.00002 0.00000 0.00000 165 9D+2 0.00005 0.00004 -0.00005 0.00001 0.00000 166 9D-2 -0.00017 0.00007 -0.00002 0.00000 0.00001 167 9 O 1S 0.00010 0.00010 -0.00077 -0.00001 0.00000 168 2S 0.00031 0.00031 -0.00182 -0.00002 0.00000 169 3S -0.00079 -0.00079 0.00315 0.00005 -0.00001 170 4S -0.00125 -0.00125 0.00411 -0.00020 -0.00010 171 5S -0.00346 -0.00346 0.01313 -0.00003 -0.00026 172 6PX -0.00196 -0.00567 0.00593 0.00010 0.00013 173 6PY -0.00567 -0.00196 0.00593 0.00010 0.00006 174 6PZ -0.00461 -0.00461 -0.00018 0.00010 0.00024 175 7PX -0.00166 -0.00475 0.00508 0.00003 0.00007 176 7PY -0.00475 -0.00166 0.00508 0.00003 0.00002 177 7PZ -0.00364 -0.00364 -0.00066 0.00015 0.00024 178 8PX -0.00146 -0.00590 0.00537 0.00000 0.00007 179 8PY -0.00590 -0.00146 0.00537 0.00000 -0.00002 180 8PZ -0.00537 -0.00537 0.00289 0.00006 0.00017 181 9D 0 0.00000 0.00000 0.00006 -0.00001 -0.00001 182 9D+1 0.00007 -0.00002 -0.00017 0.00001 0.00000 183 9D-1 -0.00002 0.00007 -0.00017 0.00001 0.00001 184 9D+2 -0.00009 0.00009 0.00000 0.00000 0.00000 185 9D-2 -0.00002 -0.00002 0.00012 0.00000 0.00000 126 127 128 129 130 126 9D-1 0.00094 127 9D+2 -0.00059 0.00118 128 9D-2 0.00035 0.00000 0.00094 129 7 O 1S 0.00000 0.00001 0.00000 0.40139 130 2S 0.00000 0.00002 0.00000 0.61059 0.94588 131 3S -0.00001 -0.00005 -0.00001 -0.05000 -0.14483 132 4S -0.00010 0.00017 -0.00010 -0.12691 -0.28080 133 5S -0.00026 0.00002 -0.00026 -0.03092 -0.08715 134 6PX 0.00006 -0.00005 0.00013 0.00731 0.01677 135 6PY 0.00024 -0.00008 0.00024 -0.00731 -0.01677 136 6PZ 0.00013 -0.00013 0.00006 0.00731 0.01677 137 7PX 0.00002 0.00000 0.00007 0.00411 0.01081 138 7PY 0.00024 -0.00013 0.00024 -0.00411 -0.01081 139 7PZ 0.00007 -0.00006 0.00002 0.00411 0.01081 140 8PX -0.00002 0.00004 0.00007 0.00745 0.01625 141 8PY 0.00017 -0.00005 0.00017 -0.00745 -0.01625 142 8PZ 0.00007 -0.00005 -0.00002 0.00745 0.01625 143 9D 0 0.00000 -0.00001 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 -0.00071 -0.00163 145 9D-1 0.00000 0.00000 0.00001 0.00071 0.00163 146 9D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 147 9D-2 0.00001 -0.00001 0.00000 0.00071 0.00163 148 8 O 1S 0.00001 -0.00001 0.00000 -0.00003 -0.00008 149 2S 0.00002 -0.00002 0.00000 -0.00008 -0.00021 150 3S -0.00006 0.00005 -0.00001 0.00018 0.00037 151 4S 0.00007 -0.00017 -0.00010 0.00007 0.00037 152 5S -0.00023 -0.00002 -0.00026 0.00097 0.00186 153 6PX 0.00016 0.00008 0.00024 0.00022 0.00051 154 6PY 0.00001 0.00005 0.00013 -0.00022 -0.00051 155 6PZ 0.00001 0.00013 0.00006 0.00087 0.00210 156 7PX 0.00011 0.00013 0.00024 0.00016 0.00037 157 7PY 0.00002 0.00000 0.00007 -0.00016 -0.00037 158 7PZ 0.00002 0.00006 0.00002 0.00073 0.00179 159 8PX 0.00012 0.00005 0.00017 0.00010 0.00031 160 8PY 0.00002 -0.00004 0.00007 -0.00010 -0.00031 161 8PZ 0.00002 0.00005 -0.00002 0.00077 0.00182 162 9D 0 0.00000 0.00001 0.00000 -0.00001 -0.00002 163 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 -0.00001 -0.00001 0.00000 0.00000 166 9D-2 0.00000 0.00001 0.00000 -0.00001 -0.00002 167 9 O 1S 0.00000 0.00000 0.00001 -0.00003 -0.00008 168 2S 0.00000 0.00000 0.00002 -0.00008 -0.00021 169 3S -0.00001 0.00000 -0.00006 0.00018 0.00037 170 4S -0.00010 0.00000 0.00007 0.00007 0.00037 171 5S -0.00026 0.00000 -0.00023 0.00097 0.00186 172 6PX 0.00006 0.00007 0.00001 0.00087 0.00210 173 6PY 0.00013 -0.00007 0.00001 -0.00022 -0.00051 174 6PZ 0.00024 0.00000 0.00016 0.00022 0.00051 175 7PX 0.00002 0.00005 0.00002 0.00073 0.00179 176 7PY 0.00007 -0.00005 0.00002 -0.00016 -0.00037 177 7PZ 0.00024 0.00000 0.00011 0.00016 0.00037 178 8PX -0.00002 0.00009 0.00002 0.00077 0.00182 179 8PY 0.00007 -0.00009 0.00002 -0.00010 -0.00031 180 8PZ 0.00017 0.00000 0.00012 0.00010 0.00031 181 9D 0 -0.00001 0.00000 0.00000 0.00001 0.00001 182 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00002 184 9D+2 0.00000 0.00000 0.00000 -0.00001 -0.00002 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 3S 0.28398 132 4S 0.36929 0.50235 133 5S 0.16620 0.23376 0.14838 134 6PX -0.02094 -0.06724 -0.07036 0.36770 135 6PY 0.02094 0.06724 0.07036 -0.01510 0.36770 136 6PZ -0.02094 -0.06724 -0.07036 0.01510 -0.01510 137 7PX -0.01695 -0.04957 -0.04933 0.28678 0.00461 138 7PY 0.01695 0.04957 0.04933 0.00461 0.28678 139 7PZ -0.01695 -0.04957 -0.04933 -0.00461 0.00461 140 8PX -0.01971 -0.03774 -0.02486 0.14702 0.01395 141 8PY 0.01971 0.03774 0.02486 0.01395 0.14702 142 8PZ -0.01971 -0.03774 -0.02486 -0.01395 0.01395 143 9D 0 0.00000 0.00000 0.00000 -0.00811 0.00811 144 9D+1 0.00245 0.00077 -0.00267 0.01275 0.00129 145 9D-1 -0.00245 -0.00077 0.00267 0.00129 0.01275 146 9D+2 0.00000 0.00000 0.00000 0.01405 0.01405 147 9D-2 -0.00245 -0.00077 0.00267 -0.01275 0.01275 148 8 O 1S 0.00018 0.00007 0.00097 -0.00022 0.00022 149 2S 0.00037 0.00037 0.00186 -0.00051 0.00051 150 3S -0.00044 -0.00110 -0.00198 0.00071 -0.00071 151 4S -0.00110 -0.00203 -0.00155 0.00203 -0.00203 152 5S -0.00198 -0.00155 -0.00324 0.00053 -0.00053 153 6PX -0.00071 -0.00203 -0.00053 -0.00219 0.00596 154 6PY 0.00071 0.00203 0.00053 0.00596 -0.00219 155 6PZ -0.00338 -0.00659 -0.01604 -0.00441 0.00441 156 7PX -0.00049 -0.00165 -0.00094 -0.00176 0.00499 157 7PY 0.00049 0.00165 0.00094 0.00499 -0.00176 158 7PZ -0.00298 -0.00558 -0.01275 -0.00350 0.00350 159 8PX -0.00079 -0.00125 -0.00346 -0.00196 0.00567 160 8PY 0.00079 0.00125 0.00346 0.00567 -0.00196 161 8PZ -0.00315 -0.00411 -0.01313 -0.00593 0.00593 162 9D 0 0.00005 -0.00020 -0.00003 0.00010 -0.00010 163 9D+1 0.00001 0.00010 0.00026 -0.00013 0.00006 164 9D-1 -0.00001 -0.00010 -0.00026 0.00006 -0.00013 165 9D+2 0.00000 0.00000 0.00000 0.00007 0.00007 166 9D-2 0.00006 -0.00007 0.00023 -0.00001 0.00001 167 9 O 1S 0.00018 0.00007 0.00097 0.00087 0.00022 168 2S 0.00037 0.00037 0.00186 0.00210 0.00051 169 3S -0.00044 -0.00110 -0.00198 -0.00338 -0.00071 170 4S -0.00110 -0.00203 -0.00155 -0.00659 -0.00203 171 5S -0.00198 -0.00155 -0.00324 -0.01604 -0.00053 172 6PX -0.00338 -0.00659 -0.01604 -0.00358 0.00441 173 6PY 0.00071 0.00203 0.00053 -0.00441 -0.00219 174 6PZ -0.00071 -0.00203 -0.00053 0.00441 0.00596 175 7PX -0.00298 -0.00558 -0.01275 -0.00425 0.00350 176 7PY 0.00049 0.00165 0.00094 -0.00439 -0.00176 177 7PZ -0.00049 -0.00165 -0.00094 0.00439 0.00499 178 8PX -0.00315 -0.00411 -0.01313 -0.00018 0.00593 179 8PY 0.00079 0.00125 0.00346 -0.00461 -0.00196 180 8PZ -0.00079 -0.00125 -0.00346 0.00461 0.00567 181 9D 0 -0.00003 0.00010 0.00001 0.00005 0.00011 182 9D+1 0.00001 0.00010 0.00026 0.00024 0.00006 183 9D-1 0.00006 -0.00007 0.00023 0.00016 0.00001 184 9D+2 0.00005 -0.00017 -0.00002 -0.00008 -0.00005 185 9D-2 -0.00001 -0.00010 -0.00026 -0.00024 -0.00013 136 137 138 139 140 136 6PZ 0.36770 137 7PX -0.00461 0.22518 138 7PY 0.00461 0.01564 0.22518 139 7PZ 0.28678 -0.01564 0.01564 0.22518 140 8PX -0.01395 0.11652 0.01634 -0.01634 0.06716 141 8PY 0.01395 0.01634 0.11652 0.01634 0.01389 142 8PZ 0.14702 -0.01634 0.01634 0.11652 -0.01389 143 9D 0 0.01623 -0.00671 0.00671 0.01342 -0.00344 144 9D+1 0.01275 0.00946 0.00216 0.00946 0.00415 145 9D-1 -0.01275 0.00216 0.00946 -0.00946 0.00180 146 9D+2 0.00000 0.01162 0.01162 0.00000 0.00596 147 9D-2 0.00129 -0.00946 0.00946 0.00216 -0.00415 148 8 O 1S 0.00087 -0.00016 0.00016 0.00073 -0.00010 149 2S 0.00210 -0.00037 0.00037 0.00179 -0.00031 150 3S -0.00338 0.00049 -0.00049 -0.00298 0.00079 151 4S -0.00659 0.00165 -0.00165 -0.00558 0.00125 152 5S -0.01604 0.00094 -0.00094 -0.01275 0.00346 153 6PX 0.00441 -0.00176 0.00499 0.00350 -0.00196 154 6PY -0.00441 0.00499 -0.00176 -0.00350 0.00567 155 6PZ -0.00358 -0.00439 0.00439 -0.00425 -0.00461 156 7PX 0.00439 -0.00149 0.00424 0.00343 -0.00166 157 7PY -0.00439 0.00424 -0.00149 -0.00343 0.00475 158 7PZ -0.00425 -0.00343 0.00343 -0.00449 -0.00364 159 8PX 0.00461 -0.00166 0.00475 0.00364 -0.00146 160 8PY -0.00461 0.00475 -0.00166 -0.00364 0.00590 161 8PZ -0.00018 -0.00508 0.00508 -0.00066 -0.00537 162 9D 0 -0.00010 0.00003 -0.00003 -0.00015 0.00000 163 9D+1 0.00024 -0.00007 0.00002 0.00024 -0.00007 164 9D-1 -0.00024 0.00002 -0.00007 -0.00024 -0.00002 165 9D+2 0.00000 0.00005 0.00005 0.00000 0.00009 166 9D-2 0.00016 -0.00002 0.00002 0.00011 -0.00002 167 9 O 1S -0.00022 0.00073 0.00016 -0.00016 0.00077 168 2S -0.00051 0.00179 0.00037 -0.00037 0.00182 169 3S 0.00071 -0.00298 -0.00049 0.00049 -0.00315 170 4S 0.00203 -0.00558 -0.00165 0.00165 -0.00411 171 5S 0.00053 -0.01275 -0.00094 0.00094 -0.01313 172 6PX -0.00441 -0.00425 0.00439 -0.00439 -0.00018 173 6PY 0.00596 -0.00350 -0.00176 0.00499 -0.00593 174 6PZ -0.00219 0.00350 0.00499 -0.00176 0.00593 175 7PX -0.00350 -0.00449 0.00343 -0.00343 -0.00066 176 7PY 0.00499 -0.00343 -0.00149 0.00424 -0.00508 177 7PZ -0.00176 0.00343 0.00424 -0.00149 0.00508 178 8PX -0.00593 -0.00066 0.00508 -0.00508 0.00289 179 8PY 0.00567 -0.00364 -0.00166 0.00475 -0.00537 180 8PZ -0.00196 0.00364 0.00475 -0.00166 0.00537 181 9D 0 0.00001 0.00008 0.00006 0.00003 0.00003 182 9D+1 -0.00013 0.00024 0.00002 -0.00007 0.00017 183 9D-1 -0.00001 0.00011 0.00002 -0.00002 0.00012 184 9D+2 0.00013 -0.00013 0.00000 0.00006 -0.00005 185 9D-2 0.00006 -0.00024 -0.00007 0.00002 -0.00017 141 142 143 144 145 141 8PY 0.06716 142 8PZ 0.01389 0.06716 143 9D 0 0.00344 0.00688 0.00118 144 9D+1 0.00180 0.00415 0.00034 0.00094 145 9D-1 0.00415 -0.00415 -0.00034 -0.00035 0.00094 146 9D+2 0.00596 0.00000 0.00000 0.00059 0.00059 147 9D-2 0.00415 0.00180 0.00068 -0.00035 0.00035 148 8 O 1S 0.00010 0.00077 -0.00001 0.00000 0.00000 149 2S 0.00031 0.00182 -0.00002 0.00000 0.00000 150 3S -0.00079 -0.00315 0.00005 -0.00001 0.00001 151 4S -0.00125 -0.00411 -0.00020 -0.00010 0.00010 152 5S -0.00346 -0.01313 -0.00003 -0.00026 0.00026 153 6PX 0.00567 0.00593 -0.00010 -0.00013 0.00006 154 6PY -0.00196 -0.00593 0.00010 0.00006 -0.00013 155 6PZ 0.00461 -0.00018 -0.00010 -0.00024 0.00024 156 7PX 0.00475 0.00508 -0.00003 -0.00007 0.00002 157 7PY -0.00166 -0.00508 0.00003 0.00002 -0.00007 158 7PZ 0.00364 -0.00066 -0.00015 -0.00024 0.00024 159 8PX 0.00590 0.00537 0.00000 -0.00007 -0.00002 160 8PY -0.00146 -0.00537 0.00000 -0.00002 -0.00007 161 8PZ 0.00537 0.00289 -0.00006 -0.00017 0.00017 162 9D 0 0.00000 -0.00006 -0.00001 -0.00001 0.00001 163 9D+1 -0.00002 0.00017 0.00001 0.00000 -0.00001 164 9D-1 -0.00007 -0.00017 -0.00001 -0.00001 0.00000 165 9D+2 0.00009 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00002 0.00012 0.00000 0.00000 0.00000 167 9 O 1S 0.00010 -0.00010 0.00001 0.00000 -0.00001 168 2S 0.00031 -0.00031 0.00001 0.00000 -0.00002 169 3S -0.00079 0.00079 -0.00003 -0.00001 0.00006 170 4S -0.00125 0.00125 0.00010 -0.00010 -0.00007 171 5S -0.00346 0.00346 0.00001 -0.00026 0.00023 172 6PX 0.00461 -0.00461 0.00005 -0.00024 0.00016 173 6PY -0.00196 0.00567 -0.00011 0.00006 -0.00001 174 6PZ 0.00567 -0.00196 -0.00001 -0.00013 0.00001 175 7PX 0.00364 -0.00364 0.00008 -0.00024 0.00011 176 7PY -0.00166 0.00475 -0.00006 0.00002 -0.00002 177 7PZ 0.00475 -0.00166 -0.00003 -0.00007 0.00002 178 8PX 0.00537 -0.00537 0.00003 -0.00017 0.00012 179 8PY -0.00146 0.00590 -0.00008 -0.00002 -0.00002 180 8PZ 0.00590 -0.00146 -0.00008 -0.00007 0.00002 181 9D 0 0.00008 0.00008 0.00000 0.00000 0.00000 182 9D+1 -0.00002 -0.00007 0.00000 0.00000 0.00000 183 9D-1 0.00002 -0.00002 0.00000 0.00000 0.00000 184 9D+2 0.00004 0.00005 0.00001 0.00000 0.00000 185 9D-2 -0.00007 -0.00002 0.00000 -0.00001 0.00000 146 147 148 149 150 146 9D+2 0.00118 147 9D-2 0.00000 0.00094 148 8 O 1S 0.00000 -0.00001 0.40139 149 2S 0.00000 -0.00002 0.61059 0.94588 150 3S 0.00000 0.00006 -0.05000 -0.14483 0.28398 151 4S 0.00000 -0.00007 -0.12691 -0.28080 0.36929 152 5S 0.00000 0.00023 -0.03092 -0.08715 0.16620 153 6PX -0.00007 0.00001 -0.00731 -0.01677 0.02094 154 6PY -0.00007 -0.00001 0.00731 0.01677 -0.02094 155 6PZ 0.00000 0.00016 0.00731 0.01677 -0.02094 156 7PX -0.00005 0.00002 -0.00411 -0.01081 0.01695 157 7PY -0.00005 -0.00002 0.00411 0.01081 -0.01695 158 7PZ 0.00000 0.00011 0.00411 0.01081 -0.01695 159 8PX -0.00009 0.00002 -0.00745 -0.01625 0.01971 160 8PY -0.00009 -0.00002 0.00745 0.01625 -0.01971 161 8PZ 0.00000 0.00012 0.00745 0.01625 -0.01971 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00071 0.00163 -0.00245 164 9D-1 0.00000 0.00000 -0.00071 -0.00163 0.00245 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00071 0.00163 -0.00245 167 9 O 1S -0.00001 0.00000 -0.00003 -0.00008 0.00018 168 2S -0.00002 0.00000 -0.00008 -0.00021 0.00037 169 3S 0.00005 0.00001 0.00018 0.00037 -0.00044 170 4S -0.00017 0.00010 0.00007 0.00037 -0.00110 171 5S -0.00002 0.00026 0.00097 0.00186 -0.00198 172 6PX -0.00008 0.00024 -0.00022 -0.00051 0.00071 173 6PY 0.00005 -0.00013 0.00087 0.00210 -0.00338 174 6PZ -0.00013 0.00006 0.00022 0.00051 -0.00071 175 7PX -0.00013 0.00024 -0.00016 -0.00037 0.00049 176 7PY 0.00000 -0.00007 0.00073 0.00179 -0.00298 177 7PZ -0.00006 0.00002 0.00016 0.00037 -0.00049 178 8PX -0.00005 0.00017 -0.00010 -0.00031 0.00079 179 8PY -0.00004 -0.00007 0.00077 0.00182 -0.00315 180 8PZ -0.00005 -0.00002 0.00010 0.00031 -0.00079 181 9D 0 0.00001 0.00000 0.00001 0.00001 -0.00003 182 9D+1 0.00000 -0.00001 -0.00001 -0.00002 0.00006 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 184 9D+2 -0.00001 0.00001 0.00001 0.00002 -0.00005 185 9D-2 -0.00001 0.00000 0.00000 0.00000 -0.00001 151 152 153 154 155 151 4S 0.50235 152 5S 0.23376 0.14838 153 6PX 0.06724 0.07036 0.36770 154 6PY -0.06724 -0.07036 -0.01510 0.36770 155 6PZ -0.06724 -0.07036 -0.01510 0.01510 0.36770 156 7PX 0.04957 0.04933 0.28678 0.00461 0.00461 157 7PY -0.04957 -0.04933 0.00461 0.28678 -0.00461 158 7PZ -0.04957 -0.04933 0.00461 -0.00461 0.28678 159 8PX 0.03774 0.02486 0.14702 0.01395 0.01395 160 8PY -0.03774 -0.02486 0.01395 0.14702 -0.01395 161 8PZ -0.03774 -0.02486 0.01395 -0.01395 0.14702 162 9D 0 0.00000 0.00000 0.00811 -0.00811 0.01623 163 9D+1 -0.00077 0.00267 0.01275 0.00129 -0.01275 164 9D-1 0.00077 -0.00267 0.00129 0.01275 0.01275 165 9D+2 0.00000 0.00000 -0.01405 -0.01405 0.00000 166 9D-2 -0.00077 0.00267 0.01275 -0.01275 0.00129 167 9 O 1S 0.00007 0.00097 0.00022 0.00087 -0.00022 168 2S 0.00037 0.00186 0.00051 0.00210 -0.00051 169 3S -0.00110 -0.00198 -0.00071 -0.00338 0.00071 170 4S -0.00203 -0.00155 -0.00203 -0.00659 0.00203 171 5S -0.00155 -0.00324 -0.00053 -0.01604 0.00053 172 6PX 0.00203 0.00053 -0.00219 -0.00441 0.00596 173 6PY -0.00659 -0.01604 0.00441 -0.00358 -0.00441 174 6PZ -0.00203 -0.00053 0.00596 0.00441 -0.00219 175 7PX 0.00165 0.00094 -0.00176 -0.00439 0.00499 176 7PY -0.00558 -0.01275 0.00350 -0.00425 -0.00350 177 7PZ -0.00165 -0.00094 0.00499 0.00439 -0.00176 178 8PX 0.00125 0.00346 -0.00196 -0.00461 0.00567 179 8PY -0.00411 -0.01313 0.00593 -0.00018 -0.00593 180 8PZ -0.00125 -0.00346 0.00567 0.00461 -0.00196 181 9D 0 0.00010 0.00001 0.00011 0.00005 0.00001 182 9D+1 -0.00007 0.00023 0.00001 0.00016 -0.00001 183 9D-1 0.00010 0.00026 0.00006 0.00024 -0.00013 184 9D+2 0.00017 0.00002 0.00005 0.00008 -0.00013 185 9D-2 -0.00010 -0.00026 -0.00013 -0.00024 0.00006 156 157 158 159 160 156 7PX 0.22518 157 7PY 0.01564 0.22518 158 7PZ 0.01564 -0.01564 0.22518 159 8PX 0.11652 0.01634 0.01634 0.06716 160 8PY 0.01634 0.11652 -0.01634 0.01389 0.06716 161 8PZ 0.01634 -0.01634 0.11652 0.01389 -0.01389 162 9D 0 0.00671 -0.00671 0.01342 0.00344 -0.00344 163 9D+1 0.00946 0.00216 -0.00946 0.00415 0.00180 164 9D-1 0.00216 0.00946 0.00946 0.00180 0.00415 165 9D+2 -0.01162 -0.01162 0.00000 -0.00596 -0.00596 166 9D-2 0.00946 -0.00946 0.00216 0.00415 -0.00415 167 9 O 1S 0.00016 0.00073 -0.00016 0.00010 0.00077 168 2S 0.00037 0.00179 -0.00037 0.00031 0.00182 169 3S -0.00049 -0.00298 0.00049 -0.00079 -0.00315 170 4S -0.00165 -0.00558 0.00165 -0.00125 -0.00411 171 5S -0.00094 -0.01275 0.00094 -0.00346 -0.01313 172 6PX -0.00176 -0.00350 0.00499 -0.00196 -0.00593 173 6PY 0.00439 -0.00425 -0.00439 0.00461 -0.00018 174 6PZ 0.00499 0.00350 -0.00176 0.00567 0.00593 175 7PX -0.00149 -0.00343 0.00424 -0.00166 -0.00508 176 7PY 0.00343 -0.00449 -0.00343 0.00364 -0.00066 177 7PZ 0.00424 0.00343 -0.00149 0.00475 0.00508 178 8PX -0.00166 -0.00364 0.00475 -0.00146 -0.00537 179 8PY 0.00508 -0.00066 -0.00508 0.00537 0.00289 180 8PZ 0.00475 0.00364 -0.00166 0.00590 0.00537 181 9D 0 0.00006 0.00008 0.00003 0.00008 0.00003 182 9D+1 0.00002 0.00011 -0.00002 0.00002 0.00012 183 9D-1 0.00002 0.00024 -0.00007 -0.00002 0.00017 184 9D+2 0.00000 0.00013 -0.00006 -0.00004 0.00005 185 9D-2 -0.00007 -0.00024 0.00002 -0.00007 -0.00017 161 162 163 164 165 161 8PZ 0.06716 162 9D 0 0.00688 0.00118 163 9D+1 -0.00415 -0.00034 0.00094 164 9D-1 0.00415 0.00034 -0.00035 0.00094 165 9D+2 0.00000 0.00000 -0.00059 -0.00059 0.00118 166 9D-2 0.00180 0.00068 0.00035 -0.00035 0.00000 167 9 O 1S -0.00010 0.00001 -0.00001 0.00000 0.00001 168 2S -0.00031 0.00001 -0.00002 0.00000 0.00002 169 3S 0.00079 -0.00003 0.00006 -0.00001 -0.00005 170 4S 0.00125 0.00010 -0.00007 -0.00010 0.00017 171 5S 0.00346 0.00001 0.00023 -0.00026 0.00002 172 6PX 0.00567 -0.00011 -0.00001 0.00006 -0.00005 173 6PY -0.00461 0.00005 0.00016 -0.00024 0.00008 174 6PZ -0.00196 -0.00001 0.00001 -0.00013 0.00013 175 7PX 0.00475 -0.00006 -0.00002 0.00002 0.00000 176 7PY -0.00364 0.00008 0.00011 -0.00024 0.00013 177 7PZ -0.00166 -0.00003 0.00002 -0.00007 0.00006 178 8PX 0.00590 -0.00008 -0.00002 -0.00002 0.00004 179 8PY -0.00537 0.00003 0.00012 -0.00017 0.00005 180 8PZ -0.00146 -0.00008 0.00002 -0.00007 0.00005 181 9D 0 0.00008 0.00000 0.00000 0.00000 -0.00001 182 9D+1 -0.00002 0.00000 0.00000 0.00000 0.00000 183 9D-1 -0.00007 0.00000 0.00000 0.00000 0.00000 184 9D+2 -0.00005 -0.00001 0.00000 0.00000 -0.00001 185 9D-2 -0.00002 0.00000 0.00000 -0.00001 0.00001 166 167 168 169 170 166 9D-2 0.00094 167 9 O 1S 0.00000 0.40139 168 2S 0.00000 0.61059 0.94588 169 3S 0.00001 -0.05000 -0.14483 0.28398 170 4S 0.00010 -0.12691 -0.28080 0.36929 0.50235 171 5S 0.00026 -0.03092 -0.08715 0.16620 0.23376 172 6PX -0.00013 0.00731 0.01677 -0.02094 -0.06724 173 6PY 0.00024 0.00731 0.01677 -0.02094 -0.06724 174 6PZ 0.00006 -0.00731 -0.01677 0.02094 0.06724 175 7PX -0.00007 0.00411 0.01081 -0.01695 -0.04957 176 7PY 0.00024 0.00411 0.01081 -0.01695 -0.04957 177 7PZ 0.00002 -0.00411 -0.01081 0.01695 0.04957 178 8PX -0.00007 0.00745 0.01625 -0.01971 -0.03774 179 8PY 0.00017 0.00745 0.01625 -0.01971 -0.03774 180 8PZ -0.00002 -0.00745 -0.01625 0.01971 0.03774 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00071 0.00163 -0.00245 -0.00077 183 9D-1 -0.00001 0.00071 0.00163 -0.00245 -0.00077 184 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 -0.00071 -0.00163 0.00245 0.00077 171 172 173 174 175 171 5S 0.14838 172 6PX -0.07036 0.36770 173 6PY -0.07036 0.01510 0.36770 174 6PZ 0.07036 -0.01510 -0.01510 0.36770 175 7PX -0.04933 0.28678 -0.00461 0.00461 0.22518 176 7PY -0.04933 -0.00461 0.28678 0.00461 -0.01564 177 7PZ 0.04933 0.00461 0.00461 0.28678 0.01564 178 8PX -0.02486 0.14702 -0.01395 0.01395 0.11652 179 8PY -0.02486 -0.01395 0.14702 0.01395 -0.01634 180 8PZ 0.02486 0.01395 0.01395 0.14702 0.01634 181 9D 0 0.00000 -0.00811 -0.00811 -0.01623 -0.00671 182 9D+1 0.00267 -0.01275 0.00129 0.01275 -0.00946 183 9D-1 0.00267 0.00129 -0.01275 0.01275 0.00216 184 9D+2 0.00000 0.01405 -0.01405 0.00000 0.01162 185 9D-2 -0.00267 0.01275 0.01275 0.00129 0.00946 176 177 178 179 180 176 7PY 0.22518 177 7PZ 0.01564 0.22518 178 8PX -0.01634 0.01634 0.06716 179 8PY 0.11652 0.01634 -0.01389 0.06716 180 8PZ 0.01634 0.11652 0.01389 0.01389 0.06716 181 9D 0 -0.00671 -0.01342 -0.00344 -0.00344 -0.00688 182 9D+1 0.00216 0.00946 -0.00415 0.00180 0.00415 183 9D-1 -0.00946 0.00946 0.00180 -0.00415 0.00415 184 9D+2 -0.01162 0.00000 0.00596 -0.00596 0.00000 185 9D-2 0.00946 0.00216 0.00415 0.00415 0.00180 181 182 183 184 185 181 9D 0 0.00118 182 9D+1 -0.00034 0.00094 183 9D-1 -0.00034 0.00035 0.00094 184 9D+2 0.00000 -0.00059 0.00059 0.00118 185 9D-2 -0.00068 -0.00035 -0.00035 0.00000 0.00094 Full Mulliken population analysis: 1 2 3 4 5 1 1 Ni 1S 2.22170 2 2S -0.22867 2.59263 3 3S -0.00133 -0.18261 0.84681 4 4S 0.00823 -0.18533 0.56164 0.47976 5 5S -0.00021 0.00246 -0.01021 -0.02397 0.19321 6 6S -0.00002 0.00021 -0.00115 -0.00296 0.03737 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 35 2S 0.00000 0.00000 0.00000 0.00000 -0.00144 36 3S 0.00000 0.00000 -0.00007 -0.00029 0.00972 37 4S -0.00001 0.00018 -0.00174 -0.00330 0.03421 38 5S -0.00001 0.00021 -0.00199 -0.00292 0.01048 39 6PX 0.00000 0.00000 -0.00002 -0.00013 0.00298 40 6PY 0.00000 0.00000 -0.00002 -0.00013 0.00298 41 6PZ 0.00000 0.00000 -0.00002 -0.00013 0.00298 42 7PX 0.00000 0.00006 -0.00067 -0.00127 0.00654 43 7PY 0.00000 0.00006 -0.00067 -0.00127 0.00654 44 7PZ 0.00000 0.00006 -0.00067 -0.00127 0.00654 45 8PX 0.00000 0.00001 -0.00041 -0.00041 -0.00129 46 8PY 0.00000 0.00001 -0.00041 -0.00041 -0.00129 47 8PZ 0.00000 0.00001 -0.00041 -0.00041 -0.00129 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00002 -0.00007 50 9D-1 0.00000 0.00000 0.00000 0.00002 -0.00007 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00002 -0.00007 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00144 55 3S 0.00000 0.00000 -0.00007 -0.00029 0.00972 56 4S -0.00001 0.00018 -0.00174 -0.00330 0.03421 57 5S -0.00001 0.00021 -0.00199 -0.00292 0.01048 58 6PX 0.00000 0.00000 -0.00002 -0.00013 0.00298 59 6PY 0.00000 0.00000 -0.00002 -0.00013 0.00298 60 6PZ 0.00000 0.00000 -0.00002 -0.00013 0.00298 61 7PX 0.00000 0.00006 -0.00067 -0.00127 0.00654 62 7PY 0.00000 0.00006 -0.00067 -0.00127 0.00654 63 7PZ 0.00000 0.00006 -0.00067 -0.00127 0.00654 64 8PX 0.00000 0.00001 -0.00041 -0.00041 -0.00129 65 8PY 0.00000 0.00001 -0.00041 -0.00041 -0.00129 66 8PZ 0.00000 0.00001 -0.00041 -0.00041 -0.00129 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00002 -0.00007 69 9D-1 0.00000 0.00000 0.00000 0.00002 -0.00007 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00002 -0.00007 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00144 74 3S 0.00000 0.00000 -0.00007 -0.00029 0.00972 75 4S -0.00001 0.00018 -0.00174 -0.00330 0.03421 76 5S -0.00001 0.00021 -0.00199 -0.00292 0.01048 77 6PX 0.00000 0.00000 -0.00002 -0.00013 0.00298 78 6PY 0.00000 0.00000 -0.00002 -0.00013 0.00298 79 6PZ 0.00000 0.00000 -0.00002 -0.00013 0.00298 80 7PX 0.00000 0.00006 -0.00067 -0.00127 0.00654 81 7PY 0.00000 0.00006 -0.00067 -0.00127 0.00654 82 7PZ 0.00000 0.00006 -0.00067 -0.00127 0.00654 83 8PX 0.00000 0.00001 -0.00041 -0.00041 -0.00129 84 8PY 0.00000 0.00001 -0.00041 -0.00041 -0.00129 85 8PZ 0.00000 0.00001 -0.00041 -0.00041 -0.00129 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00002 -0.00007 88 9D-1 0.00000 0.00000 0.00000 0.00002 -0.00007 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00002 -0.00007 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 92 2S 0.00000 0.00000 0.00000 0.00000 -0.00144 93 3S 0.00000 0.00000 -0.00007 -0.00029 0.00972 94 4S -0.00001 0.00018 -0.00174 -0.00330 0.03421 95 5S -0.00001 0.00021 -0.00199 -0.00292 0.01048 96 6PX 0.00000 0.00000 -0.00002 -0.00013 0.00298 97 6PY 0.00000 0.00000 -0.00002 -0.00013 0.00298 98 6PZ 0.00000 0.00000 -0.00002 -0.00013 0.00298 99 7PX 0.00000 0.00006 -0.00067 -0.00127 0.00654 100 7PY 0.00000 0.00006 -0.00067 -0.00127 0.00654 101 7PZ 0.00000 0.00006 -0.00067 -0.00127 0.00654 102 8PX 0.00000 0.00001 -0.00041 -0.00041 -0.00129 103 8PY 0.00000 0.00001 -0.00041 -0.00041 -0.00129 104 8PZ 0.00000 0.00001 -0.00041 -0.00041 -0.00129 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00002 -0.00007 107 9D-1 0.00000 0.00000 0.00000 0.00002 -0.00007 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00002 -0.00007 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00001 112 3S 0.00000 0.00000 0.00000 0.00000 -0.00012 113 4S 0.00000 0.00000 0.00000 0.00000 -0.00019 114 5S 0.00000 0.00000 0.00001 0.00001 -0.00063 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00011 116 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 117 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 118 7PX 0.00000 0.00000 0.00000 0.00000 -0.00043 119 7PY 0.00000 0.00000 0.00000 0.00000 -0.00043 120 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00043 121 8PX 0.00000 0.00000 0.00002 0.00005 -0.00097 122 8PY 0.00000 0.00000 0.00002 0.00005 -0.00097 123 8PZ 0.00000 0.00000 0.00002 0.00005 -0.00097 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 126 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00001 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00012 132 4S 0.00000 0.00000 0.00000 0.00000 -0.00019 133 5S 0.00000 0.00000 0.00001 0.00001 -0.00063 134 6PX 0.00000 0.00000 0.00000 0.00000 -0.00011 135 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00043 138 7PY 0.00000 0.00000 0.00000 0.00000 -0.00043 139 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00043 140 8PX 0.00000 0.00000 0.00002 0.00005 -0.00097 141 8PY 0.00000 0.00000 0.00002 0.00005 -0.00097 142 8PZ 0.00000 0.00000 0.00002 0.00005 -0.00097 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 145 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00001 150 3S 0.00000 0.00000 0.00000 0.00000 -0.00012 151 4S 0.00000 0.00000 0.00000 0.00000 -0.00019 152 5S 0.00000 0.00000 0.00001 0.00001 -0.00063 153 6PX 0.00000 0.00000 0.00000 0.00000 -0.00011 154 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 155 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 156 7PX 0.00000 0.00000 0.00000 0.00000 -0.00043 157 7PY 0.00000 0.00000 0.00000 0.00000 -0.00043 158 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00043 159 8PX 0.00000 0.00000 0.00002 0.00005 -0.00097 160 8PY 0.00000 0.00000 0.00002 0.00005 -0.00097 161 8PZ 0.00000 0.00000 0.00002 0.00005 -0.00097 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 164 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00001 169 3S 0.00000 0.00000 0.00000 0.00000 -0.00012 170 4S 0.00000 0.00000 0.00000 0.00000 -0.00019 171 5S 0.00000 0.00000 0.00001 0.00001 -0.00063 172 6PX 0.00000 0.00000 0.00000 0.00000 -0.00011 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 174 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00043 176 7PY 0.00000 0.00000 0.00000 0.00000 -0.00043 177 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00043 178 8PX 0.00000 0.00000 0.00002 0.00005 -0.00097 179 8PY 0.00000 0.00000 0.00002 0.00005 -0.00097 180 8PZ 0.00000 0.00000 0.00002 0.00005 -0.00097 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 183 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 6 7 8 9 10 6 6S 0.01142 7 7PX 0.00000 2.25877 8 7PY 0.00000 0.00000 2.25877 9 7PZ 0.00000 0.00000 0.00000 2.25877 10 8PX 0.00000 -0.24322 0.00000 0.00000 1.56609 11 8PY 0.00000 0.00000 -0.24322 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.24322 0.00000 13 9PX 0.00000 -0.02115 0.00000 0.00000 0.29622 14 9PY 0.00000 0.00000 -0.02115 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.02115 0.00000 16 10PX 0.00000 0.00022 0.00000 0.00000 -0.00351 17 10PY 0.00000 0.00000 0.00022 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00022 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00014 0.00000 0.00000 0.00000 0.00000 35 2S -0.00077 0.00000 0.00000 0.00000 0.00000 36 3S 0.00210 0.00000 0.00000 0.00000 -0.00008 37 4S 0.00902 0.00003 0.00003 0.00003 -0.00100 38 5S 0.00287 0.00002 0.00002 0.00002 -0.00074 39 6PX 0.00040 0.00000 0.00000 0.00000 -0.00001 40 6PY 0.00040 0.00000 0.00000 0.00000 -0.00003 41 6PZ 0.00040 0.00000 0.00000 0.00000 -0.00003 42 7PX 0.00091 0.00000 0.00001 0.00001 -0.00005 43 7PY 0.00091 0.00001 0.00000 0.00001 -0.00042 44 7PZ 0.00091 0.00001 0.00001 0.00000 -0.00042 45 8PX -0.00025 0.00000 0.00000 0.00000 -0.00004 46 8PY -0.00025 0.00000 0.00000 0.00000 -0.00016 47 8PZ -0.00025 0.00000 0.00000 0.00000 -0.00016 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 53 3 C 1S -0.00014 0.00000 0.00000 0.00000 0.00000 54 2S -0.00077 0.00000 0.00000 0.00000 0.00000 55 3S 0.00210 0.00000 0.00000 0.00000 -0.00008 56 4S 0.00902 0.00003 0.00003 0.00003 -0.00100 57 5S 0.00287 0.00002 0.00002 0.00002 -0.00074 58 6PX 0.00040 0.00000 0.00000 0.00000 -0.00001 59 6PY 0.00040 0.00000 0.00000 0.00000 -0.00003 60 6PZ 0.00040 0.00000 0.00000 0.00000 -0.00003 61 7PX 0.00091 0.00000 0.00001 0.00001 -0.00005 62 7PY 0.00091 0.00001 0.00000 0.00001 -0.00042 63 7PZ 0.00091 0.00001 0.00001 0.00000 -0.00042 64 8PX -0.00025 0.00000 0.00000 0.00000 -0.00004 65 8PY -0.00025 0.00000 0.00000 0.00000 -0.00016 66 8PZ -0.00025 0.00000 0.00000 0.00000 -0.00016 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 72 4 C 1S -0.00014 0.00000 0.00000 0.00000 0.00000 73 2S -0.00077 0.00000 0.00000 0.00000 0.00000 74 3S 0.00210 0.00000 0.00000 0.00000 -0.00008 75 4S 0.00902 0.00003 0.00003 0.00003 -0.00100 76 5S 0.00287 0.00002 0.00002 0.00002 -0.00074 77 6PX 0.00040 0.00000 0.00000 0.00000 -0.00001 78 6PY 0.00040 0.00000 0.00000 0.00000 -0.00003 79 6PZ 0.00040 0.00000 0.00000 0.00000 -0.00003 80 7PX 0.00091 0.00000 0.00001 0.00001 -0.00005 81 7PY 0.00091 0.00001 0.00000 0.00001 -0.00042 82 7PZ 0.00091 0.00001 0.00001 0.00000 -0.00042 83 8PX -0.00025 0.00000 0.00000 0.00000 -0.00004 84 8PY -0.00025 0.00000 0.00000 0.00000 -0.00016 85 8PZ -0.00025 0.00000 0.00000 0.00000 -0.00016 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 91 5 C 1S -0.00014 0.00000 0.00000 0.00000 0.00000 92 2S -0.00077 0.00000 0.00000 0.00000 0.00000 93 3S 0.00210 0.00000 0.00000 0.00000 -0.00008 94 4S 0.00902 0.00003 0.00003 0.00003 -0.00100 95 5S 0.00287 0.00002 0.00002 0.00002 -0.00074 96 6PX 0.00040 0.00000 0.00000 0.00000 -0.00001 97 6PY 0.00040 0.00000 0.00000 0.00000 -0.00003 98 6PZ 0.00040 0.00000 0.00000 0.00000 -0.00003 99 7PX 0.00091 0.00000 0.00001 0.00001 -0.00005 100 7PY 0.00091 0.00001 0.00000 0.00001 -0.00042 101 7PZ 0.00091 0.00001 0.00001 0.00000 -0.00042 102 8PX -0.00025 0.00000 0.00000 0.00000 -0.00004 103 8PY -0.00025 0.00000 0.00000 0.00000 -0.00016 104 8PZ -0.00025 0.00000 0.00000 0.00000 -0.00016 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 110 6 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 111 2S 0.00007 0.00000 0.00000 0.00000 0.00000 112 3S -0.00011 0.00000 0.00000 0.00000 0.00000 113 4S 0.00004 0.00000 0.00000 0.00000 0.00000 114 5S 0.00014 0.00000 0.00000 0.00000 0.00002 115 6PX -0.00008 0.00000 0.00000 0.00000 0.00000 116 6PY -0.00008 0.00000 0.00000 0.00000 0.00000 117 6PZ -0.00008 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00026 0.00000 0.00000 0.00000 0.00000 119 7PY -0.00026 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00026 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00041 0.00000 0.00000 0.00000 0.00000 122 8PY -0.00041 0.00000 0.00000 0.00000 0.00003 123 8PZ -0.00041 0.00000 0.00000 0.00000 0.00003 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 130 2S 0.00007 0.00000 0.00000 0.00000 0.00000 131 3S -0.00011 0.00000 0.00000 0.00000 0.00000 132 4S 0.00004 0.00000 0.00000 0.00000 0.00000 133 5S 0.00014 0.00000 0.00000 0.00000 0.00002 134 6PX -0.00008 0.00000 0.00000 0.00000 0.00000 135 6PY -0.00008 0.00000 0.00000 0.00000 0.00000 136 6PZ -0.00008 0.00000 0.00000 0.00000 0.00000 137 7PX -0.00026 0.00000 0.00000 0.00000 0.00000 138 7PY -0.00026 0.00000 0.00000 0.00000 0.00000 139 7PZ -0.00026 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00041 0.00000 0.00000 0.00000 0.00000 141 8PY -0.00041 0.00000 0.00000 0.00000 0.00003 142 8PZ -0.00041 0.00000 0.00000 0.00000 0.00003 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 149 2S 0.00007 0.00000 0.00000 0.00000 0.00000 150 3S -0.00011 0.00000 0.00000 0.00000 0.00000 151 4S 0.00004 0.00000 0.00000 0.00000 0.00000 152 5S 0.00014 0.00000 0.00000 0.00000 0.00002 153 6PX -0.00008 0.00000 0.00000 0.00000 0.00000 154 6PY -0.00008 0.00000 0.00000 0.00000 0.00000 155 6PZ -0.00008 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00026 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00026 0.00000 0.00000 0.00000 0.00000 158 7PZ -0.00026 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00041 0.00000 0.00000 0.00000 0.00000 160 8PY -0.00041 0.00000 0.00000 0.00000 0.00003 161 8PZ -0.00041 0.00000 0.00000 0.00000 0.00003 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 168 2S 0.00007 0.00000 0.00000 0.00000 0.00000 169 3S -0.00011 0.00000 0.00000 0.00000 0.00000 170 4S 0.00004 0.00000 0.00000 0.00000 0.00000 171 5S 0.00014 0.00000 0.00000 0.00000 0.00002 172 6PX -0.00008 0.00000 0.00000 0.00000 0.00000 173 6PY -0.00008 0.00000 0.00000 0.00000 0.00000 174 6PZ -0.00008 0.00000 0.00000 0.00000 0.00000 175 7PX -0.00026 0.00000 0.00000 0.00000 0.00000 176 7PY -0.00026 0.00000 0.00000 0.00000 0.00000 177 7PZ -0.00026 0.00000 0.00000 0.00000 0.00000 178 8PX -0.00041 0.00000 0.00000 0.00000 0.00000 179 8PY -0.00041 0.00000 0.00000 0.00000 0.00003 180 8PZ -0.00041 0.00000 0.00000 0.00000 0.00003 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 8PY 1.56609 12 8PZ 0.00000 1.56609 13 9PX 0.00000 0.00000 0.13512 14 9PY 0.29622 0.00000 0.00000 0.13512 15 9PZ 0.00000 0.29622 0.00000 0.00000 0.13512 16 10PX 0.00000 0.00000 0.00099 0.00000 0.00000 17 10PY -0.00351 0.00000 0.00000 0.00099 0.00000 18 10PZ 0.00000 -0.00351 0.00000 0.00000 0.00099 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.00008 -0.00008 -0.00006 -0.00006 -0.00006 37 4S -0.00100 -0.00100 -0.00041 -0.00041 -0.00041 38 5S -0.00074 -0.00074 -0.00045 -0.00045 -0.00045 39 6PX -0.00003 -0.00003 -0.00002 -0.00005 -0.00005 40 6PY -0.00001 -0.00003 -0.00005 -0.00002 -0.00005 41 6PZ -0.00003 -0.00001 -0.00005 -0.00005 -0.00002 42 7PX -0.00042 -0.00042 0.00000 -0.00015 -0.00015 43 7PY -0.00005 -0.00042 -0.00015 0.00000 -0.00015 44 7PZ -0.00042 -0.00005 -0.00015 -0.00015 0.00000 45 8PX -0.00016 -0.00016 -0.00003 -0.00014 -0.00014 46 8PY -0.00004 -0.00016 -0.00014 -0.00003 -0.00014 47 8PZ -0.00016 -0.00004 -0.00014 -0.00014 -0.00003 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00001 0.00001 0.00002 0.00002 0.00002 50 9D-1 0.00001 0.00001 0.00002 0.00002 0.00002 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00001 0.00001 0.00002 0.00002 0.00002 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S -0.00008 -0.00008 -0.00006 -0.00006 -0.00006 56 4S -0.00100 -0.00100 -0.00041 -0.00041 -0.00041 57 5S -0.00074 -0.00074 -0.00045 -0.00045 -0.00045 58 6PX -0.00003 -0.00003 -0.00002 -0.00005 -0.00005 59 6PY -0.00001 -0.00003 -0.00005 -0.00002 -0.00005 60 6PZ -0.00003 -0.00001 -0.00005 -0.00005 -0.00002 61 7PX -0.00042 -0.00042 0.00000 -0.00015 -0.00015 62 7PY -0.00005 -0.00042 -0.00015 0.00000 -0.00015 63 7PZ -0.00042 -0.00005 -0.00015 -0.00015 0.00000 64 8PX -0.00016 -0.00016 -0.00003 -0.00014 -0.00014 65 8PY -0.00004 -0.00016 -0.00014 -0.00003 -0.00014 66 8PZ -0.00016 -0.00004 -0.00014 -0.00014 -0.00003 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00001 0.00001 0.00002 0.00002 0.00002 69 9D-1 0.00001 0.00001 0.00002 0.00002 0.00002 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00001 0.00001 0.00002 0.00002 0.00002 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00008 -0.00008 -0.00006 -0.00006 -0.00006 75 4S -0.00100 -0.00100 -0.00041 -0.00041 -0.00041 76 5S -0.00074 -0.00074 -0.00045 -0.00045 -0.00045 77 6PX -0.00003 -0.00003 -0.00002 -0.00005 -0.00005 78 6PY -0.00001 -0.00003 -0.00005 -0.00002 -0.00005 79 6PZ -0.00003 -0.00001 -0.00005 -0.00005 -0.00002 80 7PX -0.00042 -0.00042 0.00000 -0.00015 -0.00015 81 7PY -0.00005 -0.00042 -0.00015 0.00000 -0.00015 82 7PZ -0.00042 -0.00005 -0.00015 -0.00015 0.00000 83 8PX -0.00016 -0.00016 -0.00003 -0.00014 -0.00014 84 8PY -0.00004 -0.00016 -0.00014 -0.00003 -0.00014 85 8PZ -0.00016 -0.00004 -0.00014 -0.00014 -0.00003 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00001 0.00001 0.00002 0.00002 0.00002 88 9D-1 0.00001 0.00001 0.00002 0.00002 0.00002 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00001 0.00001 0.00002 0.00002 0.00002 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00008 -0.00008 -0.00006 -0.00006 -0.00006 94 4S -0.00100 -0.00100 -0.00041 -0.00041 -0.00041 95 5S -0.00074 -0.00074 -0.00045 -0.00045 -0.00045 96 6PX -0.00003 -0.00003 -0.00002 -0.00005 -0.00005 97 6PY -0.00001 -0.00003 -0.00005 -0.00002 -0.00005 98 6PZ -0.00003 -0.00001 -0.00005 -0.00005 -0.00002 99 7PX -0.00042 -0.00042 0.00000 -0.00015 -0.00015 100 7PY -0.00005 -0.00042 -0.00015 0.00000 -0.00015 101 7PZ -0.00042 -0.00005 -0.00015 -0.00015 0.00000 102 8PX -0.00016 -0.00016 -0.00003 -0.00014 -0.00014 103 8PY -0.00004 -0.00016 -0.00014 -0.00003 -0.00014 104 8PZ -0.00016 -0.00004 -0.00014 -0.00014 -0.00003 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00001 0.00001 0.00002 0.00002 0.00002 107 9D-1 0.00001 0.00001 0.00002 0.00002 0.00002 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00001 0.00001 0.00002 0.00002 0.00002 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00002 0.00002 0.00001 0.00001 0.00001 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00003 0.00003 -0.00001 0.00004 0.00004 122 8PY 0.00000 0.00003 0.00004 -0.00001 0.00004 123 8PZ 0.00003 0.00000 0.00004 0.00004 -0.00001 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00002 0.00002 0.00001 0.00001 0.00001 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00003 0.00003 -0.00001 0.00004 0.00004 141 8PY 0.00000 0.00003 0.00004 -0.00001 0.00004 142 8PZ 0.00003 0.00000 0.00004 0.00004 -0.00001 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00002 0.00002 0.00001 0.00001 0.00001 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00003 0.00003 -0.00001 0.00004 0.00004 160 8PY 0.00000 0.00003 0.00004 -0.00001 0.00004 161 8PZ 0.00003 0.00000 0.00004 0.00004 -0.00001 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00002 0.00002 0.00001 0.00001 0.00001 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00003 0.00003 -0.00001 0.00004 0.00004 179 8PY 0.00000 0.00003 0.00004 -0.00001 0.00004 180 8PZ 0.00003 0.00000 0.00004 0.00004 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 10PX 0.09769 17 10PY 0.00000 0.09769 18 10PZ 0.00000 0.00000 0.09769 19 11D 0 0.00000 0.00000 0.00000 0.63379 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.61130 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.19615 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.19101 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.04033 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.03744 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00017 -0.00017 -0.00017 0.00000 0.00000 35 2S -0.00122 -0.00122 -0.00122 0.00000 0.00000 36 3S 0.00695 0.00695 0.00695 0.00000 0.00001 37 4S 0.02056 0.02056 0.02056 0.00000 0.00003 38 5S 0.01246 0.01246 0.01246 0.00000 -0.00008 39 6PX 0.00016 0.00310 0.00310 0.00000 -0.00001 40 6PY 0.00310 0.00016 0.00310 0.00000 0.00003 41 6PZ 0.00310 0.00310 0.00016 0.00001 -0.00001 42 7PX -0.00021 0.00504 0.00504 0.00005 -0.00006 43 7PY 0.00504 -0.00021 0.00504 0.00005 0.00043 44 7PZ 0.00504 0.00504 -0.00021 0.00020 -0.00006 45 8PX 0.00526 0.00047 0.00047 0.00006 0.00001 46 8PY 0.00047 0.00526 0.00047 0.00006 0.00025 47 8PZ 0.00047 0.00047 0.00526 0.00024 0.00001 48 9D 0 0.00006 0.00006 0.00024 0.00001 0.00000 49 9D+1 -0.00002 -0.00006 -0.00002 0.00000 0.00000 50 9D-1 -0.00006 -0.00002 -0.00002 0.00000 0.00001 51 9D+2 0.00018 0.00018 0.00000 0.00000 0.00000 52 9D-2 -0.00002 -0.00002 -0.00006 0.00000 0.00001 53 3 C 1S -0.00017 -0.00017 -0.00017 0.00000 0.00000 54 2S -0.00122 -0.00122 -0.00122 0.00000 0.00000 55 3S 0.00695 0.00695 0.00695 0.00000 0.00001 56 4S 0.02056 0.02056 0.02056 0.00000 0.00003 57 5S 0.01246 0.01246 0.01246 0.00000 -0.00008 58 6PX 0.00016 0.00310 0.00310 0.00000 -0.00001 59 6PY 0.00310 0.00016 0.00310 0.00000 0.00003 60 6PZ 0.00310 0.00310 0.00016 0.00001 -0.00001 61 7PX -0.00021 0.00504 0.00504 0.00005 -0.00006 62 7PY 0.00504 -0.00021 0.00504 0.00005 0.00043 63 7PZ 0.00504 0.00504 -0.00021 0.00020 -0.00006 64 8PX 0.00526 0.00047 0.00047 0.00006 0.00001 65 8PY 0.00047 0.00526 0.00047 0.00006 0.00025 66 8PZ 0.00047 0.00047 0.00526 0.00024 0.00001 67 9D 0 0.00006 0.00006 0.00024 0.00001 0.00000 68 9D+1 -0.00002 -0.00006 -0.00002 0.00000 0.00000 69 9D-1 -0.00006 -0.00002 -0.00002 0.00000 0.00001 70 9D+2 0.00018 0.00018 0.00000 0.00000 0.00000 71 9D-2 -0.00002 -0.00002 -0.00006 0.00000 0.00001 72 4 C 1S -0.00017 -0.00017 -0.00017 0.00000 0.00000 73 2S -0.00122 -0.00122 -0.00122 0.00000 0.00000 74 3S 0.00695 0.00695 0.00695 0.00000 0.00001 75 4S 0.02056 0.02056 0.02056 0.00000 0.00003 76 5S 0.01246 0.01246 0.01246 0.00000 -0.00008 77 6PX 0.00016 0.00310 0.00310 0.00000 -0.00001 78 6PY 0.00310 0.00016 0.00310 0.00000 0.00003 79 6PZ 0.00310 0.00310 0.00016 0.00001 -0.00001 80 7PX -0.00021 0.00504 0.00504 0.00005 -0.00006 81 7PY 0.00504 -0.00021 0.00504 0.00005 0.00043 82 7PZ 0.00504 0.00504 -0.00021 0.00020 -0.00006 83 8PX 0.00526 0.00047 0.00047 0.00006 0.00001 84 8PY 0.00047 0.00526 0.00047 0.00006 0.00025 85 8PZ 0.00047 0.00047 0.00526 0.00024 0.00001 86 9D 0 0.00006 0.00006 0.00024 0.00001 0.00000 87 9D+1 -0.00002 -0.00006 -0.00002 0.00000 0.00000 88 9D-1 -0.00006 -0.00002 -0.00002 0.00000 0.00001 89 9D+2 0.00018 0.00018 0.00000 0.00000 0.00000 90 9D-2 -0.00002 -0.00002 -0.00006 0.00000 0.00001 91 5 C 1S -0.00017 -0.00017 -0.00017 0.00000 0.00000 92 2S -0.00122 -0.00122 -0.00122 0.00000 0.00000 93 3S 0.00695 0.00695 0.00695 0.00000 0.00001 94 4S 0.02056 0.02056 0.02056 0.00000 0.00003 95 5S 0.01246 0.01246 0.01246 0.00000 -0.00008 96 6PX 0.00016 0.00310 0.00310 0.00000 -0.00001 97 6PY 0.00310 0.00016 0.00310 0.00000 0.00003 98 6PZ 0.00310 0.00310 0.00016 0.00001 -0.00001 99 7PX -0.00021 0.00504 0.00504 0.00005 -0.00006 100 7PY 0.00504 -0.00021 0.00504 0.00005 0.00043 101 7PZ 0.00504 0.00504 -0.00021 0.00020 -0.00006 102 8PX 0.00526 0.00047 0.00047 0.00006 0.00001 103 8PY 0.00047 0.00526 0.00047 0.00006 0.00025 104 8PZ 0.00047 0.00047 0.00526 0.00024 0.00001 105 9D 0 0.00006 0.00006 0.00024 0.00001 0.00000 106 9D+1 -0.00002 -0.00006 -0.00002 0.00000 0.00000 107 9D-1 -0.00006 -0.00002 -0.00002 0.00000 0.00001 108 9D+2 0.00018 0.00018 0.00000 0.00000 0.00000 109 9D-2 -0.00002 -0.00002 -0.00006 0.00000 0.00001 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00003 0.00003 0.00003 0.00000 0.00000 112 3S -0.00021 -0.00021 -0.00021 0.00000 0.00000 113 4S -0.00045 -0.00045 -0.00045 0.00000 0.00000 114 5S -0.00225 -0.00225 -0.00225 0.00000 0.00001 115 6PX 0.00000 -0.00022 -0.00022 0.00000 0.00000 116 6PY -0.00022 0.00000 -0.00022 0.00000 0.00000 117 6PZ -0.00022 -0.00022 0.00000 0.00000 0.00000 118 7PX 0.00006 -0.00088 -0.00088 0.00000 0.00000 119 7PY -0.00088 0.00006 -0.00088 0.00000 0.00000 120 7PZ -0.00088 -0.00088 0.00006 0.00000 0.00000 121 8PX 0.00063 -0.00244 -0.00244 0.00000 0.00002 122 8PY -0.00244 0.00063 -0.00244 0.00000 -0.00006 123 8PZ -0.00244 -0.00244 0.00063 -0.00002 0.00002 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 126 9D-1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 -0.00001 -0.00001 -0.00001 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00003 0.00003 0.00003 0.00000 0.00000 131 3S -0.00021 -0.00021 -0.00021 0.00000 0.00000 132 4S -0.00045 -0.00045 -0.00045 0.00000 0.00000 133 5S -0.00225 -0.00225 -0.00225 0.00000 0.00001 134 6PX 0.00000 -0.00022 -0.00022 0.00000 0.00000 135 6PY -0.00022 0.00000 -0.00022 0.00000 0.00000 136 6PZ -0.00022 -0.00022 0.00000 0.00000 0.00000 137 7PX 0.00006 -0.00088 -0.00088 0.00000 0.00000 138 7PY -0.00088 0.00006 -0.00088 0.00000 0.00000 139 7PZ -0.00088 -0.00088 0.00006 0.00000 0.00000 140 8PX 0.00063 -0.00244 -0.00244 0.00000 0.00002 141 8PY -0.00244 0.00063 -0.00244 0.00000 -0.00006 142 8PZ -0.00244 -0.00244 0.00063 -0.00002 0.00002 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 145 9D-1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 -0.00001 -0.00001 -0.00001 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00003 0.00003 0.00003 0.00000 0.00000 150 3S -0.00021 -0.00021 -0.00021 0.00000 0.00000 151 4S -0.00045 -0.00045 -0.00045 0.00000 0.00000 152 5S -0.00225 -0.00225 -0.00225 0.00000 0.00001 153 6PX 0.00000 -0.00022 -0.00022 0.00000 0.00000 154 6PY -0.00022 0.00000 -0.00022 0.00000 0.00000 155 6PZ -0.00022 -0.00022 0.00000 0.00000 0.00000 156 7PX 0.00006 -0.00088 -0.00088 0.00000 0.00000 157 7PY -0.00088 0.00006 -0.00088 0.00000 0.00000 158 7PZ -0.00088 -0.00088 0.00006 0.00000 0.00000 159 8PX 0.00063 -0.00244 -0.00244 0.00000 0.00002 160 8PY -0.00244 0.00063 -0.00244 0.00000 -0.00006 161 8PZ -0.00244 -0.00244 0.00063 -0.00002 0.00002 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 164 9D-1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00001 -0.00001 -0.00001 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00003 0.00003 0.00003 0.00000 0.00000 169 3S -0.00021 -0.00021 -0.00021 0.00000 0.00000 170 4S -0.00045 -0.00045 -0.00045 0.00000 0.00000 171 5S -0.00225 -0.00225 -0.00225 0.00000 0.00001 172 6PX 0.00000 -0.00022 -0.00022 0.00000 0.00000 173 6PY -0.00022 0.00000 -0.00022 0.00000 0.00000 174 6PZ -0.00022 -0.00022 0.00000 0.00000 0.00000 175 7PX 0.00006 -0.00088 -0.00088 0.00000 0.00000 176 7PY -0.00088 0.00006 -0.00088 0.00000 0.00000 177 7PZ -0.00088 -0.00088 0.00006 0.00000 0.00000 178 8PX 0.00063 -0.00244 -0.00244 0.00000 0.00002 179 8PY -0.00244 0.00063 -0.00244 0.00000 -0.00006 180 8PZ -0.00244 -0.00244 0.00063 -0.00002 0.00002 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 183 9D-1 -0.00001 -0.00001 -0.00001 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 -0.00001 -0.00001 -0.00001 0.00000 0.00000 21 22 23 24 25 21 11D-1 0.61130 22 11D+2 0.00000 0.63379 23 11D-2 0.00000 0.00000 0.61130 24 12D 0 0.00000 0.00000 0.00000 0.23910 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.23514 26 12D-1 0.19101 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.19615 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.19101 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.11164 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.10469 31 13D-1 0.03744 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.04033 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.03744 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00001 0.00000 0.00001 0.00000 0.00016 37 4S 0.00003 0.00000 0.00003 0.00000 0.00021 38 5S -0.00008 0.00000 -0.00008 0.00000 -0.00033 39 6PX 0.00003 0.00000 -0.00001 0.00003 -0.00007 40 6PY -0.00001 0.00000 -0.00001 0.00003 0.00045 41 6PZ -0.00001 0.00000 0.00003 0.00010 -0.00007 42 7PX 0.00043 0.00015 -0.00006 0.00024 -0.00020 43 7PY -0.00006 0.00015 -0.00006 0.00024 0.00184 44 7PZ -0.00006 0.00000 0.00043 0.00097 -0.00020 45 8PX 0.00025 0.00018 0.00001 0.00026 0.00003 46 8PY 0.00001 0.00018 0.00001 0.00026 0.00108 47 8PZ 0.00001 0.00000 0.00025 0.00106 0.00003 48 9D 0 0.00000 0.00000 0.00001 0.00010 0.00002 49 9D+1 0.00001 0.00000 0.00001 0.00001 0.00001 50 9D-1 0.00000 0.00000 0.00001 0.00001 0.00012 51 9D+2 0.00000 0.00001 0.00000 0.00000 0.00005 52 9D-2 0.00001 0.00000 0.00000 0.00005 0.00012 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00001 0.00000 0.00001 0.00000 0.00016 56 4S 0.00003 0.00000 0.00003 0.00000 0.00021 57 5S -0.00008 0.00000 -0.00008 0.00000 -0.00033 58 6PX 0.00003 0.00000 -0.00001 0.00003 -0.00007 59 6PY -0.00001 0.00000 -0.00001 0.00003 0.00045 60 6PZ -0.00001 0.00000 0.00003 0.00010 -0.00007 61 7PX 0.00043 0.00015 -0.00006 0.00024 -0.00020 62 7PY -0.00006 0.00015 -0.00006 0.00024 0.00184 63 7PZ -0.00006 0.00000 0.00043 0.00097 -0.00020 64 8PX 0.00025 0.00018 0.00001 0.00026 0.00003 65 8PY 0.00001 0.00018 0.00001 0.00026 0.00108 66 8PZ 0.00001 0.00000 0.00025 0.00106 0.00003 67 9D 0 0.00000 0.00000 0.00001 0.00010 0.00002 68 9D+1 0.00001 0.00000 0.00001 0.00001 0.00001 69 9D-1 0.00000 0.00000 0.00001 0.00001 0.00012 70 9D+2 0.00000 0.00001 0.00000 0.00000 0.00005 71 9D-2 0.00001 0.00000 0.00000 0.00005 0.00012 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00001 0.00000 0.00001 0.00000 0.00016 75 4S 0.00003 0.00000 0.00003 0.00000 0.00021 76 5S -0.00008 0.00000 -0.00008 0.00000 -0.00033 77 6PX 0.00003 0.00000 -0.00001 0.00003 -0.00007 78 6PY -0.00001 0.00000 -0.00001 0.00003 0.00045 79 6PZ -0.00001 0.00000 0.00003 0.00010 -0.00007 80 7PX 0.00043 0.00015 -0.00006 0.00024 -0.00020 81 7PY -0.00006 0.00015 -0.00006 0.00024 0.00184 82 7PZ -0.00006 0.00000 0.00043 0.00097 -0.00020 83 8PX 0.00025 0.00018 0.00001 0.00026 0.00003 84 8PY 0.00001 0.00018 0.00001 0.00026 0.00108 85 8PZ 0.00001 0.00000 0.00025 0.00106 0.00003 86 9D 0 0.00000 0.00000 0.00001 0.00010 0.00002 87 9D+1 0.00001 0.00000 0.00001 0.00001 0.00001 88 9D-1 0.00000 0.00000 0.00001 0.00001 0.00012 89 9D+2 0.00000 0.00001 0.00000 0.00000 0.00005 90 9D-2 0.00001 0.00000 0.00000 0.00005 0.00012 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00001 0.00000 0.00001 0.00000 0.00016 94 4S 0.00003 0.00000 0.00003 0.00000 0.00021 95 5S -0.00008 0.00000 -0.00008 0.00000 -0.00033 96 6PX 0.00003 0.00000 -0.00001 0.00003 -0.00007 97 6PY -0.00001 0.00000 -0.00001 0.00003 0.00045 98 6PZ -0.00001 0.00000 0.00003 0.00010 -0.00007 99 7PX 0.00043 0.00015 -0.00006 0.00024 -0.00020 100 7PY -0.00006 0.00015 -0.00006 0.00024 0.00184 101 7PZ -0.00006 0.00000 0.00043 0.00097 -0.00020 102 8PX 0.00025 0.00018 0.00001 0.00026 0.00003 103 8PY 0.00001 0.00018 0.00001 0.00026 0.00108 104 8PZ 0.00001 0.00000 0.00025 0.00106 0.00003 105 9D 0 0.00000 0.00000 0.00001 0.00010 0.00002 106 9D+1 0.00001 0.00000 0.00001 0.00001 0.00001 107 9D-1 0.00000 0.00000 0.00001 0.00001 0.00012 108 9D+2 0.00000 0.00001 0.00000 0.00000 0.00005 109 9D-2 0.00001 0.00000 0.00000 0.00005 0.00012 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00001 0.00000 0.00001 0.00000 0.00009 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00006 -0.00001 0.00002 -0.00003 0.00013 122 8PY 0.00002 -0.00001 0.00002 -0.00003 -0.00031 123 8PZ 0.00002 0.00000 -0.00006 -0.00011 0.00013 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00001 0.00000 0.00001 0.00000 0.00009 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00006 -0.00001 0.00002 -0.00003 0.00013 141 8PY 0.00002 -0.00001 0.00002 -0.00003 -0.00031 142 8PZ 0.00002 0.00000 -0.00006 -0.00011 0.00013 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00001 0.00000 0.00001 0.00000 0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00006 -0.00001 0.00002 -0.00003 0.00013 160 8PY 0.00002 -0.00001 0.00002 -0.00003 -0.00031 161 8PZ 0.00002 0.00000 -0.00006 -0.00011 0.00013 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00001 0.00000 0.00001 0.00000 0.00009 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX -0.00006 -0.00001 0.00002 -0.00003 0.00013 179 8PY 0.00002 -0.00001 0.00002 -0.00003 -0.00031 180 8PZ 0.00002 0.00000 -0.00006 -0.00011 0.00013 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 12D-1 0.23514 27 12D+2 0.00000 0.23910 28 12D-2 0.00000 0.00000 0.23514 29 13D 0 0.00000 0.00000 0.00000 0.15287 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.13741 31 13D-1 0.10469 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.11164 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.10469 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 35 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 36 3S 0.00016 0.00000 0.00016 0.00000 0.00094 37 4S 0.00021 0.00000 0.00021 0.00000 0.00119 38 5S -0.00033 0.00000 -0.00033 0.00000 -0.00101 39 6PX 0.00045 0.00008 -0.00007 0.00029 -0.00007 40 6PY -0.00007 0.00008 -0.00007 0.00029 0.00309 41 6PZ -0.00007 0.00000 0.00045 0.00116 -0.00007 42 7PX 0.00184 0.00073 -0.00020 0.00095 -0.00020 43 7PY -0.00020 0.00073 -0.00020 0.00095 0.00520 44 7PZ -0.00020 0.00000 0.00184 0.00380 -0.00020 45 8PX 0.00108 0.00079 0.00003 0.00102 0.00022 46 8PY 0.00003 0.00079 0.00003 0.00102 0.00330 47 8PZ 0.00003 0.00000 0.00108 0.00408 0.00022 48 9D 0 0.00002 0.00000 0.00007 0.00046 0.00009 49 9D+1 0.00012 0.00004 0.00012 0.00007 0.00001 50 9D-1 0.00001 0.00004 0.00012 0.00007 0.00018 51 9D+2 0.00005 0.00010 0.00000 0.00000 0.00026 52 9D-2 0.00012 0.00000 0.00001 0.00029 0.00018 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 55 3S 0.00016 0.00000 0.00016 0.00000 0.00094 56 4S 0.00021 0.00000 0.00021 0.00000 0.00119 57 5S -0.00033 0.00000 -0.00033 0.00000 -0.00101 58 6PX 0.00045 0.00008 -0.00007 0.00029 -0.00007 59 6PY -0.00007 0.00008 -0.00007 0.00029 0.00309 60 6PZ -0.00007 0.00000 0.00045 0.00116 -0.00007 61 7PX 0.00184 0.00073 -0.00020 0.00095 -0.00020 62 7PY -0.00020 0.00073 -0.00020 0.00095 0.00520 63 7PZ -0.00020 0.00000 0.00184 0.00380 -0.00020 64 8PX 0.00108 0.00079 0.00003 0.00102 0.00022 65 8PY 0.00003 0.00079 0.00003 0.00102 0.00330 66 8PZ 0.00003 0.00000 0.00108 0.00408 0.00022 67 9D 0 0.00002 0.00000 0.00007 0.00046 0.00009 68 9D+1 0.00012 0.00004 0.00012 0.00007 0.00001 69 9D-1 0.00001 0.00004 0.00012 0.00007 0.00018 70 9D+2 0.00005 0.00010 0.00000 0.00000 0.00026 71 9D-2 0.00012 0.00000 0.00001 0.00029 0.00018 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 74 3S 0.00016 0.00000 0.00016 0.00000 0.00094 75 4S 0.00021 0.00000 0.00021 0.00000 0.00119 76 5S -0.00033 0.00000 -0.00033 0.00000 -0.00101 77 6PX 0.00045 0.00008 -0.00007 0.00029 -0.00007 78 6PY -0.00007 0.00008 -0.00007 0.00029 0.00309 79 6PZ -0.00007 0.00000 0.00045 0.00116 -0.00007 80 7PX 0.00184 0.00073 -0.00020 0.00095 -0.00020 81 7PY -0.00020 0.00073 -0.00020 0.00095 0.00520 82 7PZ -0.00020 0.00000 0.00184 0.00380 -0.00020 83 8PX 0.00108 0.00079 0.00003 0.00102 0.00022 84 8PY 0.00003 0.00079 0.00003 0.00102 0.00330 85 8PZ 0.00003 0.00000 0.00108 0.00408 0.00022 86 9D 0 0.00002 0.00000 0.00007 0.00046 0.00009 87 9D+1 0.00012 0.00004 0.00012 0.00007 0.00001 88 9D-1 0.00001 0.00004 0.00012 0.00007 0.00018 89 9D+2 0.00005 0.00010 0.00000 0.00000 0.00026 90 9D-2 0.00012 0.00000 0.00001 0.00029 0.00018 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 92 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 93 3S 0.00016 0.00000 0.00016 0.00000 0.00094 94 4S 0.00021 0.00000 0.00021 0.00000 0.00119 95 5S -0.00033 0.00000 -0.00033 0.00000 -0.00101 96 6PX 0.00045 0.00008 -0.00007 0.00029 -0.00007 97 6PY -0.00007 0.00008 -0.00007 0.00029 0.00309 98 6PZ -0.00007 0.00000 0.00045 0.00116 -0.00007 99 7PX 0.00184 0.00073 -0.00020 0.00095 -0.00020 100 7PY -0.00020 0.00073 -0.00020 0.00095 0.00520 101 7PZ -0.00020 0.00000 0.00184 0.00380 -0.00020 102 8PX 0.00108 0.00079 0.00003 0.00102 0.00022 103 8PY 0.00003 0.00079 0.00003 0.00102 0.00330 104 8PZ 0.00003 0.00000 0.00108 0.00408 0.00022 105 9D 0 0.00002 0.00000 0.00007 0.00046 0.00009 106 9D+1 0.00012 0.00004 0.00012 0.00007 0.00001 107 9D-1 0.00001 0.00004 0.00012 0.00007 0.00018 108 9D+2 0.00005 0.00010 0.00000 0.00000 0.00026 109 9D-2 0.00012 0.00000 0.00001 0.00029 0.00018 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00009 0.00000 0.00009 0.00000 0.00066 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 -0.00001 0.00005 119 7PY 0.00000 0.00000 0.00000 -0.00001 -0.00020 120 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 121 8PX -0.00031 -0.00008 0.00013 -0.00021 0.00050 122 8PY 0.00013 -0.00008 0.00013 -0.00021 -0.00161 123 8PZ 0.00013 0.00000 -0.00031 -0.00083 0.00050 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00009 0.00000 0.00009 0.00000 0.00066 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 -0.00001 0.00005 138 7PY 0.00000 0.00000 0.00000 -0.00001 -0.00020 139 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 140 8PX -0.00031 -0.00008 0.00013 -0.00021 0.00050 141 8PY 0.00013 -0.00008 0.00013 -0.00021 -0.00161 142 8PZ 0.00013 0.00000 -0.00031 -0.00083 0.00050 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00009 0.00000 0.00009 0.00000 0.00066 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 -0.00001 0.00005 157 7PY 0.00000 0.00000 0.00000 -0.00001 -0.00020 158 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 159 8PX -0.00031 -0.00008 0.00013 -0.00021 0.00050 160 8PY 0.00013 -0.00008 0.00013 -0.00021 -0.00161 161 8PZ 0.00013 0.00000 -0.00031 -0.00083 0.00050 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00009 0.00000 0.00009 0.00000 0.00066 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 -0.00001 0.00005 176 7PY 0.00000 0.00000 0.00000 -0.00001 -0.00020 177 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 178 8PX -0.00031 -0.00008 0.00013 -0.00021 0.00050 179 8PY 0.00013 -0.00008 0.00013 -0.00021 -0.00161 180 8PZ 0.00013 0.00000 -0.00031 -0.00083 0.00050 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 13D-1 0.13741 32 13D+2 0.00000 0.15287 33 13D-2 0.00000 0.00000 0.13741 34 2 C 1S -0.00002 0.00000 -0.00002 0.45858 35 2S -0.00012 0.00000 -0.00012 0.42326 0.84599 36 3S 0.00094 0.00000 0.00094 -0.00867 -0.06734 37 4S 0.00119 0.00000 0.00119 -0.01129 -0.06875 38 5S -0.00101 0.00000 -0.00101 -0.00084 -0.00726 39 6PX 0.00309 0.00087 -0.00007 0.00000 0.00000 40 6PY -0.00007 0.00087 -0.00007 0.00000 0.00000 41 6PZ -0.00007 0.00000 0.00309 0.00000 0.00000 42 7PX 0.00520 0.00285 -0.00020 0.00000 0.00000 43 7PY -0.00020 0.00285 -0.00020 0.00000 0.00000 44 7PZ -0.00020 0.00000 0.00520 0.00000 0.00000 45 8PX 0.00330 0.00306 0.00022 0.00000 0.00000 46 8PY 0.00022 0.00306 0.00022 0.00000 0.00000 47 8PZ 0.00022 0.00000 0.00330 0.00000 0.00000 48 9D 0 0.00009 0.00000 0.00035 0.00000 0.00000 49 9D+1 0.00018 0.00022 0.00018 0.00000 0.00000 50 9D-1 0.00001 0.00022 0.00018 0.00000 0.00000 51 9D+2 0.00026 0.00046 0.00000 0.00000 0.00000 52 9D-2 0.00018 0.00000 0.00001 0.00000 0.00000 53 3 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 54 2S -0.00012 0.00000 -0.00012 0.00000 0.00000 55 3S 0.00094 0.00000 0.00094 0.00000 0.00000 56 4S 0.00119 0.00000 0.00119 0.00000 0.00000 57 5S -0.00101 0.00000 -0.00101 0.00001 0.00008 58 6PX 0.00309 0.00087 -0.00007 0.00000 0.00000 59 6PY -0.00007 0.00087 -0.00007 0.00000 0.00000 60 6PZ -0.00007 0.00000 0.00309 0.00000 0.00000 61 7PX 0.00520 0.00285 -0.00020 0.00000 0.00000 62 7PY -0.00020 0.00285 -0.00020 0.00000 0.00000 63 7PZ -0.00020 0.00000 0.00520 0.00000 0.00000 64 8PX 0.00330 0.00306 0.00022 -0.00001 -0.00003 65 8PY 0.00022 0.00306 0.00022 -0.00001 -0.00003 66 8PZ 0.00022 0.00000 0.00330 0.00000 0.00000 67 9D 0 0.00009 0.00000 0.00035 0.00000 0.00000 68 9D+1 0.00018 0.00022 0.00018 0.00000 0.00000 69 9D-1 0.00001 0.00022 0.00018 0.00000 0.00000 70 9D+2 0.00026 0.00046 0.00000 0.00000 0.00000 71 9D-2 0.00018 0.00000 0.00001 0.00000 0.00000 72 4 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 73 2S -0.00012 0.00000 -0.00012 0.00000 0.00000 74 3S 0.00094 0.00000 0.00094 0.00000 0.00000 75 4S 0.00119 0.00000 0.00119 0.00000 0.00000 76 5S -0.00101 0.00000 -0.00101 0.00001 0.00008 77 6PX 0.00309 0.00087 -0.00007 0.00000 0.00000 78 6PY -0.00007 0.00087 -0.00007 0.00000 0.00000 79 6PZ -0.00007 0.00000 0.00309 0.00000 0.00000 80 7PX 0.00520 0.00285 -0.00020 0.00000 0.00000 81 7PY -0.00020 0.00285 -0.00020 0.00000 0.00000 82 7PZ -0.00020 0.00000 0.00520 0.00000 0.00000 83 8PX 0.00330 0.00306 0.00022 -0.00001 -0.00003 84 8PY 0.00022 0.00306 0.00022 0.00000 0.00000 85 8PZ 0.00022 0.00000 0.00330 -0.00001 -0.00003 86 9D 0 0.00009 0.00000 0.00035 0.00000 0.00000 87 9D+1 0.00018 0.00022 0.00018 0.00000 0.00000 88 9D-1 0.00001 0.00022 0.00018 0.00000 0.00000 89 9D+2 0.00026 0.00046 0.00000 0.00000 0.00000 90 9D-2 0.00018 0.00000 0.00001 0.00000 0.00000 91 5 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 92 2S -0.00012 0.00000 -0.00012 0.00000 0.00000 93 3S 0.00094 0.00000 0.00094 0.00000 0.00000 94 4S 0.00119 0.00000 0.00119 0.00000 0.00000 95 5S -0.00101 0.00000 -0.00101 0.00001 0.00008 96 6PX 0.00309 0.00087 -0.00007 0.00000 0.00000 97 6PY -0.00007 0.00087 -0.00007 0.00000 0.00000 98 6PZ -0.00007 0.00000 0.00309 0.00000 0.00000 99 7PX 0.00520 0.00285 -0.00020 0.00000 0.00000 100 7PY -0.00020 0.00285 -0.00020 0.00000 0.00000 101 7PZ -0.00020 0.00000 0.00520 0.00000 0.00000 102 8PX 0.00330 0.00306 0.00022 0.00000 0.00000 103 8PY 0.00022 0.00306 0.00022 -0.00001 -0.00003 104 8PZ 0.00022 0.00000 0.00330 -0.00001 -0.00003 105 9D 0 0.00009 0.00000 0.00035 0.00000 0.00000 106 9D+1 0.00018 0.00022 0.00018 0.00000 0.00000 107 9D-1 0.00001 0.00022 0.00018 0.00000 0.00000 108 9D+2 0.00026 0.00046 0.00000 0.00000 0.00000 109 9D-2 0.00018 0.00000 0.00001 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 -0.00002 -0.00020 113 4S 0.00000 0.00000 0.00000 -0.00027 -0.00127 114 5S 0.00066 0.00000 0.00066 0.00114 0.00720 115 6PX -0.00002 0.00000 0.00000 -0.00003 -0.00050 116 6PY 0.00000 0.00000 0.00000 -0.00003 -0.00050 117 6PZ 0.00000 0.00000 -0.00002 -0.00003 -0.00050 118 7PX -0.00020 -0.00004 0.00005 -0.00054 -0.00351 119 7PY 0.00005 -0.00004 0.00005 -0.00054 -0.00351 120 7PZ 0.00005 0.00000 -0.00020 -0.00054 -0.00351 121 8PX -0.00161 -0.00062 0.00050 -0.00006 -0.00054 122 8PY 0.00050 -0.00062 0.00050 -0.00006 -0.00054 123 8PZ 0.00050 0.00000 -0.00161 -0.00006 -0.00054 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 -0.00003 -0.00026 126 9D-1 0.00000 0.00000 0.00000 -0.00003 -0.00026 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 -0.00003 -0.00026 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00066 0.00000 0.00066 0.00000 0.00000 134 6PX -0.00002 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 137 7PX -0.00020 -0.00004 0.00005 0.00000 0.00000 138 7PY 0.00005 -0.00004 0.00005 0.00000 0.00000 139 7PZ 0.00005 0.00000 -0.00020 0.00000 0.00000 140 8PX -0.00161 -0.00062 0.00050 0.00000 0.00000 141 8PY 0.00050 -0.00062 0.00050 0.00000 0.00000 142 8PZ 0.00050 0.00000 -0.00161 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00066 0.00000 0.00066 0.00000 0.00000 153 6PX -0.00002 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 156 7PX -0.00020 -0.00004 0.00005 0.00000 0.00000 157 7PY 0.00005 -0.00004 0.00005 0.00000 0.00000 158 7PZ 0.00005 0.00000 -0.00020 0.00000 0.00000 159 8PX -0.00161 -0.00062 0.00050 0.00000 0.00000 160 8PY 0.00050 -0.00062 0.00050 0.00000 0.00000 161 8PZ 0.00050 0.00000 -0.00161 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00066 0.00000 0.00066 0.00000 0.00000 172 6PX -0.00002 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 175 7PX -0.00020 -0.00004 0.00005 0.00000 0.00000 176 7PY 0.00005 -0.00004 0.00005 0.00000 0.00000 177 7PZ 0.00005 0.00000 -0.00020 0.00000 0.00000 178 8PX -0.00161 -0.00062 0.00050 0.00000 0.00000 179 8PY 0.00050 -0.00062 0.00050 0.00000 0.00000 180 8PZ 0.00050 0.00000 -0.00161 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.29183 37 4S 0.27283 0.43895 38 5S 0.05345 0.12985 0.07254 39 6PX 0.00000 0.00000 0.00000 0.18923 40 6PY 0.00000 0.00000 0.00000 0.00000 0.18923 41 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 7PX 0.00000 0.00000 0.00000 0.07411 0.00000 43 7PY 0.00000 0.00000 0.00000 0.00000 0.07411 44 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 8PX 0.00000 0.00000 0.00000 0.00534 0.00000 46 8PY 0.00000 0.00000 0.00000 0.00000 0.00534 47 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 54 2S 0.00000 0.00000 0.00008 0.00000 0.00000 55 3S 0.00000 -0.00004 -0.00056 0.00000 0.00000 56 4S -0.00004 -0.00044 -0.00244 0.00000 0.00000 57 5S -0.00056 -0.00244 -0.00370 -0.00012 -0.00012 58 6PX 0.00000 0.00000 -0.00012 0.00000 0.00000 59 6PY 0.00000 0.00000 -0.00012 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00005 -0.00016 0.00001 0.00001 62 7PY 0.00000 0.00005 -0.00016 0.00001 0.00001 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8PX 0.00006 0.00077 0.00184 -0.00002 0.00016 65 8PY 0.00006 0.00077 0.00184 0.00016 -0.00002 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 9D 0 0.00000 0.00001 0.00003 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00001 0.00004 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 73 2S 0.00000 0.00000 0.00008 0.00000 0.00000 74 3S 0.00000 -0.00004 -0.00056 0.00000 0.00000 75 4S -0.00004 -0.00044 -0.00244 0.00000 0.00000 76 5S -0.00056 -0.00244 -0.00370 -0.00012 0.00000 77 6PX 0.00000 0.00000 -0.00012 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 -0.00012 0.00000 0.00000 80 7PX 0.00000 0.00005 -0.00016 0.00001 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 0.00005 -0.00016 0.00001 0.00000 83 8PX 0.00006 0.00077 0.00184 -0.00002 0.00000 84 8PY 0.00000 0.00000 0.00000 0.00000 0.00006 85 8PZ 0.00006 0.00077 0.00184 0.00016 0.00000 86 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 87 9D+1 0.00000 0.00001 0.00004 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 92 2S 0.00000 0.00000 0.00008 0.00000 0.00000 93 3S 0.00000 -0.00004 -0.00056 0.00000 0.00000 94 4S -0.00004 -0.00044 -0.00244 0.00000 0.00000 95 5S -0.00056 -0.00244 -0.00370 0.00000 -0.00012 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 -0.00012 0.00000 0.00000 98 6PZ 0.00000 0.00000 -0.00012 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00005 -0.00016 0.00000 0.00001 101 7PZ 0.00000 0.00005 -0.00016 0.00000 0.00001 102 8PX 0.00000 0.00000 0.00000 0.00006 0.00000 103 8PY 0.00006 0.00077 0.00184 0.00000 -0.00002 104 8PZ 0.00006 0.00077 0.00184 0.00000 0.00016 105 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00001 0.00004 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S -0.00007 0.00022 -0.00007 -0.00010 -0.00010 111 2S -0.00057 0.00199 -0.00016 -0.00086 -0.00086 112 3S 0.00382 -0.01545 -0.00347 0.00661 0.00661 113 4S 0.00020 -0.03852 -0.00441 0.00785 0.00785 114 5S -0.03670 -0.08141 -0.02424 0.00148 0.00148 115 6PX 0.00792 0.00238 -0.00077 -0.00157 0.01303 116 6PY 0.00792 0.00238 -0.00077 0.01303 -0.00157 117 6PZ 0.00792 0.00238 -0.00077 0.01303 0.01303 118 7PX 0.01631 0.00455 -0.00220 0.00005 0.02116 119 7PY 0.01631 0.00455 -0.00220 0.02116 0.00005 120 7PZ 0.01631 0.00455 -0.00220 0.02116 0.02116 121 8PX 0.00510 -0.00078 -0.00326 0.00287 0.00480 122 8PY 0.00510 -0.00078 -0.00326 0.00480 0.00287 123 8PZ 0.00510 -0.00078 -0.00326 0.00480 0.00480 124 9D 0 0.00000 0.00000 0.00000 0.00029 0.00029 125 9D+1 0.00086 0.00014 -0.00001 0.00016 0.00180 126 9D-1 0.00086 0.00014 -0.00001 0.00180 0.00016 127 9D+2 0.00000 0.00000 0.00000 0.00086 0.00086 128 9D-2 0.00086 0.00014 -0.00001 0.00016 0.00016 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00001 0.00000 0.00000 132 4S 0.00000 0.00000 0.00002 0.00000 0.00000 133 5S 0.00000 0.00002 0.00020 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 -0.00001 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00002 0.00000 0.00000 139 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 140 8PX 0.00000 -0.00003 -0.00016 0.00000 0.00000 141 8PY 0.00000 0.00003 0.00015 0.00000 0.00000 142 8PZ 0.00000 -0.00003 -0.00016 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00001 0.00000 0.00000 151 4S 0.00000 0.00000 0.00002 0.00000 0.00000 152 5S 0.00000 0.00002 0.00020 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00002 0.00000 0.00000 157 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000 158 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 159 8PX 0.00000 0.00003 0.00015 0.00000 0.00000 160 8PY 0.00000 -0.00003 -0.00016 0.00000 0.00000 161 8PZ 0.00000 -0.00003 -0.00016 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00001 0.00000 0.00000 170 4S 0.00000 0.00000 0.00002 0.00000 0.00000 171 5S 0.00000 0.00002 0.00020 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 -0.00001 0.00000 0.00000 176 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000 178 8PX 0.00000 -0.00003 -0.00016 0.00000 0.00000 179 8PY 0.00000 -0.00003 -0.00016 0.00000 0.00000 180 8PZ 0.00000 0.00003 0.00015 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 6PZ 0.18923 42 7PX 0.00000 0.08091 43 7PY 0.00000 0.00000 0.08091 44 7PZ 0.07411 0.00000 0.00000 0.08091 45 8PX 0.00000 0.01475 0.00000 0.00000 0.02088 46 8PY 0.00000 0.00000 0.01475 0.00000 0.00000 47 8PZ 0.00534 0.00000 0.00000 0.01475 0.00000 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 55 3S 0.00000 0.00000 0.00000 0.00000 0.00006 56 4S 0.00000 0.00005 0.00005 0.00000 0.00077 57 5S 0.00000 -0.00016 -0.00016 0.00000 0.00184 58 6PX 0.00000 0.00001 0.00001 0.00000 -0.00002 59 6PY 0.00000 0.00001 0.00001 0.00000 0.00016 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00009 0.00020 0.00000 -0.00013 62 7PY 0.00000 0.00020 0.00009 0.00000 0.00043 63 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 64 8PX 0.00000 -0.00013 0.00043 0.00000 -0.00090 65 8PY 0.00000 0.00043 -0.00013 0.00000 0.00015 66 8PZ 0.00006 0.00000 0.00000 0.00035 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001 71 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 74 3S 0.00000 0.00000 0.00000 0.00000 0.00006 75 4S 0.00000 0.00005 0.00000 0.00005 0.00077 76 5S -0.00012 -0.00016 0.00000 -0.00016 0.00184 77 6PX 0.00000 0.00001 0.00000 0.00001 -0.00002 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00001 0.00000 0.00001 0.00016 80 7PX 0.00001 0.00009 0.00000 0.00020 -0.00013 81 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000 82 7PZ 0.00001 0.00020 0.00000 0.00009 0.00043 83 8PX 0.00016 -0.00013 0.00000 0.00043 -0.00090 84 8PY 0.00000 0.00000 0.00035 0.00000 0.00000 85 8PZ -0.00002 0.00043 0.00000 -0.00013 0.00015 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 87 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00005 0.00005 0.00000 95 5S -0.00012 0.00000 -0.00016 -0.00016 0.00000 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00006 97 6PY 0.00000 0.00000 0.00001 0.00001 0.00000 98 6PZ 0.00000 0.00000 0.00001 0.00001 0.00000 99 7PX 0.00000 -0.00001 0.00000 0.00000 0.00035 100 7PY 0.00001 0.00000 0.00009 0.00020 0.00000 101 7PZ 0.00001 0.00000 0.00020 0.00009 0.00000 102 8PX 0.00000 0.00035 0.00000 0.00000 0.00255 103 8PY 0.00016 0.00000 -0.00013 0.00043 0.00000 104 8PZ -0.00002 0.00000 0.00043 -0.00013 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S -0.00010 -0.00005 -0.00005 -0.00005 -0.00005 111 2S -0.00086 -0.00044 -0.00044 -0.00044 -0.00028 112 3S 0.00661 0.00322 0.00322 0.00322 0.00037 113 4S 0.00785 0.00148 0.00148 0.00148 0.00203 114 5S 0.00148 0.00111 0.00111 0.00111 0.00062 115 6PX 0.01303 0.00186 0.00774 0.00774 0.00187 116 6PY 0.01303 0.00774 0.00186 0.00774 -0.00006 117 6PZ -0.00157 0.00774 0.00774 0.00186 -0.00006 118 7PX 0.02116 0.00867 0.01404 0.01404 0.00570 119 7PY 0.02116 0.01404 0.00867 0.01404 -0.00006 120 7PZ 0.00005 0.01404 0.01404 0.00867 -0.00006 121 8PX 0.00480 0.00775 0.00542 0.00542 0.00193 122 8PY 0.00480 0.00542 0.00775 0.00542 -0.00056 123 8PZ 0.00287 0.00542 0.00542 0.00775 -0.00056 124 9D 0 0.00115 0.00022 0.00022 0.00087 0.00002 125 9D+1 0.00016 0.00000 0.00046 0.00000 0.00003 126 9D-1 0.00016 0.00046 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00065 0.00065 0.00000 0.00006 128 9D-2 0.00180 0.00000 0.00000 0.00046 0.00003 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 -0.00001 0.00000 -0.00025 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 140 8PX 0.00000 0.00000 -0.00001 -0.00004 0.00006 141 8PY 0.00000 0.00001 0.00000 0.00001 -0.00002 142 8PZ 0.00000 -0.00004 -0.00001 0.00000 -0.00035 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 0.00000 0.00000 -0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002 157 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002 158 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 159 8PX 0.00000 0.00000 0.00001 0.00001 -0.00017 160 8PY 0.00000 -0.00001 0.00000 -0.00004 -0.00012 161 8PZ 0.00000 -0.00001 -0.00004 0.00000 -0.00012 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 -0.00001 -0.00025 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 176 7PY 0.00000 0.00000 0.00000 0.00000 -0.00007 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 -0.00004 -0.00001 0.00006 179 8PY 0.00000 -0.00004 0.00000 -0.00001 -0.00035 180 8PZ 0.00000 0.00001 0.00001 0.00000 -0.00002 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 8PY 0.02088 47 8PZ 0.00000 0.02088 48 9D 0 0.00000 0.00000 0.00261 49 9D+1 0.00000 0.00000 0.00000 0.00197 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00197 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 54 2S -0.00003 0.00000 0.00000 0.00000 0.00000 55 3S 0.00006 0.00000 0.00000 0.00000 0.00000 56 4S 0.00077 0.00000 0.00001 0.00000 0.00000 57 5S 0.00184 0.00000 0.00003 0.00000 0.00000 58 6PX 0.00016 0.00000 0.00000 0.00000 0.00000 59 6PY -0.00002 0.00000 0.00000 0.00000 0.00000 60 6PZ 0.00000 0.00006 0.00000 0.00000 0.00000 61 7PX 0.00043 0.00000 0.00000 0.00000 0.00000 62 7PY -0.00013 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00035 0.00000 0.00000 0.00000 64 8PX 0.00015 0.00000 0.00000 0.00000 0.00000 65 8PY -0.00090 0.00000 0.00000 0.00000 0.00000 66 8PZ 0.00000 0.00255 0.00000 0.00002 0.00002 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00002 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00002 0.00000 0.00000 0.00000 70 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 71 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 73 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 74 3S 0.00000 0.00006 0.00000 0.00000 0.00000 75 4S 0.00000 0.00077 0.00000 0.00001 0.00000 76 5S 0.00000 0.00184 0.00001 0.00004 0.00000 77 6PX 0.00000 0.00016 0.00000 0.00000 0.00000 78 6PY 0.00006 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00043 0.00000 0.00000 0.00000 81 7PY 0.00035 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 -0.00013 0.00000 0.00000 0.00000 83 8PX 0.00000 0.00015 0.00001 -0.00001 0.00000 84 8PY 0.00255 0.00000 0.00000 0.00000 0.00002 85 8PZ 0.00000 -0.00090 0.00000 -0.00001 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00000 88 9D-1 0.00002 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 90 9D-2 0.00002 0.00000 0.00000 0.00000 0.00000 91 5 C 1S -0.00001 -0.00001 0.00000 0.00000 0.00000 92 2S -0.00003 -0.00003 0.00000 0.00000 0.00000 93 3S 0.00006 0.00006 0.00000 0.00000 0.00000 94 4S 0.00077 0.00077 0.00000 0.00000 0.00001 95 5S 0.00184 0.00184 0.00001 0.00000 0.00004 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY -0.00002 0.00016 0.00000 0.00000 0.00000 98 6PZ 0.00016 -0.00002 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY -0.00013 0.00043 0.00000 0.00000 0.00000 101 7PZ 0.00043 -0.00013 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00002 0.00000 103 8PY -0.00090 0.00015 0.00001 0.00000 -0.00001 104 8PZ 0.00015 -0.00090 0.00000 0.00000 -0.00001 105 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 -0.00001 -0.00001 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S -0.00005 -0.00005 0.00000 -0.00005 -0.00005 111 2S -0.00028 -0.00028 0.00000 -0.00040 -0.00040 112 3S 0.00037 0.00037 0.00000 0.00170 0.00170 113 4S 0.00203 0.00203 0.00000 0.00137 0.00137 114 5S 0.00062 0.00062 0.00000 0.00009 0.00009 115 6PX -0.00006 -0.00006 0.00070 0.00014 0.00374 116 6PY 0.00187 -0.00006 0.00070 0.00374 0.00014 117 6PZ -0.00006 0.00187 0.00279 0.00014 0.00014 118 7PX -0.00006 -0.00006 0.00115 -0.00001 0.00337 119 7PY 0.00570 -0.00006 0.00115 0.00337 -0.00001 120 7PZ -0.00006 0.00570 0.00461 -0.00001 -0.00001 121 8PX -0.00056 -0.00056 0.00036 0.00006 0.00041 122 8PY 0.00193 -0.00056 0.00036 0.00041 0.00006 123 8PZ -0.00056 0.00193 0.00145 0.00006 0.00006 124 9D 0 0.00002 0.00007 0.00032 0.00004 0.00004 125 9D+1 0.00000 0.00003 0.00004 0.00000 0.00006 126 9D-1 0.00003 0.00003 0.00004 0.00006 0.00000 127 9D+2 0.00006 0.00000 0.00000 0.00012 0.00012 128 9D-2 0.00003 0.00000 0.00017 0.00006 0.00006 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00009 -0.00025 0.00000 0.00000 0.00000 134 6PX 0.00000 -0.00001 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX -0.00002 -0.00007 0.00000 0.00000 0.00000 138 7PY -0.00002 0.00000 0.00000 0.00000 0.00000 139 7PZ -0.00002 -0.00001 0.00000 0.00000 0.00000 140 8PX -0.00012 -0.00035 0.00000 0.00000 0.00000 141 8PY -0.00017 -0.00002 0.00000 0.00000 0.00000 142 8PZ -0.00012 0.00006 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S -0.00025 -0.00025 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 -0.00001 0.00000 0.00000 0.00000 155 6PZ -0.00001 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00001 -0.00007 0.00000 0.00000 0.00000 158 7PZ -0.00007 -0.00001 0.00000 0.00000 0.00000 159 8PX -0.00002 -0.00002 0.00000 0.00000 0.00000 160 8PY 0.00006 -0.00035 0.00000 0.00000 0.00000 161 8PZ -0.00035 0.00006 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S -0.00001 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S -0.00025 -0.00009 0.00000 0.00000 0.00000 172 6PX -0.00001 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX -0.00007 -0.00002 0.00000 0.00000 0.00000 176 7PY -0.00001 -0.00002 0.00000 0.00000 0.00000 177 7PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 178 8PX -0.00035 -0.00012 0.00000 0.00000 0.00000 179 8PY 0.00006 -0.00012 0.00000 0.00000 0.00000 180 8PZ -0.00002 -0.00017 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 9D+2 0.00261 52 9D-2 0.00000 0.00197 53 3 C 1S 0.00000 0.00000 0.45858 54 2S 0.00000 0.00000 0.42326 0.84599 55 3S 0.00000 0.00000 -0.00867 -0.06734 0.29183 56 4S 0.00000 0.00001 -0.01129 -0.06875 0.27283 57 5S 0.00000 0.00004 -0.00084 -0.00726 0.05345 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8PX 0.00001 -0.00001 0.00000 0.00000 0.00000 65 8PY 0.00001 -0.00001 0.00000 0.00000 0.00000 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00000 0.00000 0.00000 0.00000 -0.00004 76 5S 0.00002 0.00000 0.00001 0.00008 -0.00056 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 8PY 0.00000 0.00002 -0.00001 -0.00003 0.00006 85 8PZ 0.00001 0.00000 -0.00001 -0.00003 0.00006 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00000 0.00000 -0.00004 95 5S 0.00002 0.00000 0.00001 0.00008 -0.00056 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00002 -0.00001 -0.00003 0.00006 103 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 8PZ 0.00001 0.00000 -0.00001 -0.00003 0.00006 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 -0.00005 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00040 0.00000 0.00000 0.00000 112 3S 0.00000 0.00170 0.00000 0.00000 0.00000 113 4S 0.00000 0.00137 0.00000 0.00000 0.00000 114 5S 0.00000 0.00009 0.00000 0.00000 0.00000 115 6PX 0.00209 0.00014 0.00000 0.00000 0.00000 116 6PY 0.00209 0.00014 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00374 0.00000 0.00000 0.00000 118 7PX 0.00345 -0.00001 0.00000 0.00000 0.00000 119 7PY 0.00345 -0.00001 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00337 0.00000 0.00000 0.00000 121 8PX 0.00109 0.00006 0.00000 0.00000 0.00000 122 8PY 0.00109 0.00006 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00041 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00017 0.00000 0.00000 0.00000 125 9D+1 0.00012 0.00006 0.00000 0.00000 0.00000 126 9D-1 0.00012 0.00006 0.00000 0.00000 0.00000 127 9D+2 0.00032 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00057 169 3S 0.00000 0.00000 -0.00002 -0.00020 0.00382 170 4S 0.00000 0.00000 -0.00027 -0.00127 0.00020 171 5S 0.00000 0.00000 0.00114 0.00720 -0.03670 172 6PX 0.00000 0.00000 -0.00003 -0.00050 0.00792 173 6PY 0.00000 0.00000 -0.00003 -0.00050 0.00792 174 6PZ 0.00000 0.00000 -0.00003 -0.00050 0.00792 175 7PX 0.00000 0.00000 -0.00054 -0.00351 0.01631 176 7PY 0.00000 0.00000 -0.00054 -0.00351 0.01631 177 7PZ 0.00000 0.00000 -0.00054 -0.00351 0.01631 178 8PX 0.00000 0.00000 -0.00006 -0.00054 0.00510 179 8PY 0.00000 0.00000 -0.00006 -0.00054 0.00510 180 8PZ 0.00000 0.00000 -0.00006 -0.00054 0.00510 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 -0.00003 -0.00026 0.00086 183 9D-1 0.00000 0.00000 -0.00003 -0.00026 0.00086 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 -0.00003 -0.00026 0.00086 56 57 58 59 60 56 4S 0.43895 57 5S 0.12985 0.07254 58 6PX 0.00000 0.00000 0.18923 59 6PY 0.00000 0.00000 0.00000 0.18923 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.18923 61 7PX 0.00000 0.00000 0.07411 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.07411 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.07411 64 8PX 0.00000 0.00000 0.00534 0.00000 0.00000 65 8PY 0.00000 0.00000 0.00000 0.00534 0.00000 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00534 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 73 2S 0.00000 0.00008 0.00000 0.00000 0.00000 74 3S -0.00004 -0.00056 0.00000 0.00000 0.00000 75 4S -0.00044 -0.00244 0.00000 0.00000 0.00000 76 5S -0.00244 -0.00370 0.00000 -0.00012 -0.00012 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 -0.00012 0.00000 0.00000 0.00000 79 6PZ 0.00000 -0.00012 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00005 -0.00016 0.00000 0.00001 0.00001 82 7PZ 0.00005 -0.00016 0.00000 0.00001 0.00001 83 8PX 0.00000 0.00000 0.00006 0.00000 0.00000 84 8PY 0.00077 0.00184 0.00000 -0.00002 0.00016 85 8PZ 0.00077 0.00184 0.00000 0.00016 -0.00002 86 9D 0 0.00000 0.00001 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00001 0.00004 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00002 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00000 0.00000 0.00000 93 3S -0.00004 -0.00056 0.00000 0.00000 0.00000 94 4S -0.00044 -0.00244 0.00000 0.00000 0.00000 95 5S -0.00244 -0.00370 -0.00012 0.00000 -0.00012 96 6PX 0.00000 -0.00012 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 -0.00012 0.00000 0.00000 0.00000 99 7PX 0.00005 -0.00016 0.00001 0.00000 0.00001 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00005 -0.00016 0.00001 0.00000 0.00001 102 8PX 0.00077 0.00184 -0.00002 0.00000 0.00016 103 8PY 0.00000 0.00000 0.00000 0.00006 0.00000 104 8PZ 0.00077 0.00184 0.00016 0.00000 -0.00002 105 9D 0 0.00000 0.00001 0.00000 0.00000 0.00000 106 9D+1 0.00001 0.00004 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00002 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00000 0.00000 0.00000 113 4S 0.00000 0.00002 0.00000 0.00000 0.00000 114 5S 0.00002 0.00020 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 119 7PY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00002 0.00000 0.00000 0.00000 121 8PX -0.00003 -0.00016 0.00000 0.00000 0.00000 122 8PY -0.00003 -0.00016 0.00000 0.00000 0.00000 123 8PZ 0.00003 0.00015 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00001 0.00000 0.00000 0.00000 132 4S 0.00000 0.00002 0.00000 0.00000 0.00000 133 5S 0.00002 0.00020 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00002 0.00000 0.00000 0.00000 138 7PY 0.00000 -0.00001 0.00000 0.00000 0.00000 139 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 140 8PX 0.00003 0.00015 0.00000 0.00000 0.00000 141 8PY -0.00003 -0.00016 0.00000 0.00000 0.00000 142 8PZ -0.00003 -0.00016 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00001 0.00000 0.00000 0.00000 151 4S 0.00000 0.00002 0.00000 0.00000 0.00000 152 5S 0.00002 0.00020 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00002 0.00000 0.00000 0.00000 158 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 159 8PX -0.00003 -0.00016 0.00000 0.00000 0.00000 160 8PY 0.00003 0.00015 0.00000 0.00000 0.00000 161 8PZ -0.00003 -0.00016 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00022 -0.00007 -0.00010 -0.00010 -0.00010 168 2S 0.00199 -0.00016 -0.00086 -0.00086 -0.00086 169 3S -0.01545 -0.00347 0.00661 0.00661 0.00661 170 4S -0.03852 -0.00441 0.00785 0.00785 0.00785 171 5S -0.08141 -0.02424 0.00148 0.00148 0.00148 172 6PX 0.00238 -0.00077 -0.00157 0.01303 0.01303 173 6PY 0.00238 -0.00077 0.01303 -0.00157 0.01303 174 6PZ 0.00238 -0.00077 0.01303 0.01303 -0.00157 175 7PX 0.00455 -0.00220 0.00005 0.02116 0.02116 176 7PY 0.00455 -0.00220 0.02116 0.00005 0.02116 177 7PZ 0.00455 -0.00220 0.02116 0.02116 0.00005 178 8PX -0.00078 -0.00326 0.00287 0.00480 0.00480 179 8PY -0.00078 -0.00326 0.00480 0.00287 0.00480 180 8PZ -0.00078 -0.00326 0.00480 0.00480 0.00287 181 9D 0 0.00000 0.00000 0.00029 0.00029 0.00115 182 9D+1 0.00014 -0.00001 0.00016 0.00180 0.00016 183 9D-1 0.00014 -0.00001 0.00180 0.00016 0.00016 184 9D+2 0.00000 0.00000 0.00086 0.00086 0.00000 185 9D-2 0.00014 -0.00001 0.00016 0.00016 0.00180 61 62 63 64 65 61 7PX 0.08091 62 7PY 0.00000 0.08091 63 7PZ 0.00000 0.00000 0.08091 64 8PX 0.01475 0.00000 0.00000 0.02088 65 8PY 0.00000 0.01475 0.00000 0.00000 0.02088 66 8PZ 0.00000 0.00000 0.01475 0.00000 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 74 3S 0.00000 0.00000 0.00000 0.00000 0.00006 75 4S 0.00000 0.00005 0.00005 0.00000 0.00077 76 5S 0.00000 -0.00016 -0.00016 0.00000 0.00184 77 6PX 0.00000 0.00000 0.00000 0.00006 0.00000 78 6PY 0.00000 0.00001 0.00001 0.00000 -0.00002 79 6PZ 0.00000 0.00001 0.00001 0.00000 0.00016 80 7PX -0.00001 0.00000 0.00000 0.00035 0.00000 81 7PY 0.00000 0.00009 0.00020 0.00000 -0.00013 82 7PZ 0.00000 0.00020 0.00009 0.00000 0.00043 83 8PX 0.00035 0.00000 0.00000 0.00255 0.00000 84 8PY 0.00000 -0.00013 0.00043 0.00000 -0.00090 85 8PZ 0.00000 0.00043 -0.00013 0.00000 0.00015 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 87 9D+1 0.00000 0.00000 0.00000 0.00002 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00002 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00003 0.00000 93 3S 0.00000 0.00000 0.00000 0.00006 0.00000 94 4S 0.00005 0.00000 0.00005 0.00077 0.00000 95 5S -0.00016 0.00000 -0.00016 0.00184 0.00000 96 6PX 0.00001 0.00000 0.00001 -0.00002 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00006 98 6PZ 0.00001 0.00000 0.00001 0.00016 0.00000 99 7PX 0.00009 0.00000 0.00020 -0.00013 0.00000 100 7PY 0.00000 -0.00001 0.00000 0.00000 0.00035 101 7PZ 0.00020 0.00000 0.00009 0.00043 0.00000 102 8PX -0.00013 0.00000 0.00043 -0.00090 0.00000 103 8PY 0.00000 0.00035 0.00000 0.00000 0.00255 104 8PZ 0.00043 0.00000 -0.00013 0.00015 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000 106 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 -0.00001 -0.00025 -0.00025 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00001 116 6PY 0.00000 0.00000 0.00000 -0.00001 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 -0.00001 -0.00007 119 7PY 0.00000 0.00000 0.00000 -0.00007 -0.00001 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 -0.00004 -0.00001 0.00006 -0.00035 122 8PY -0.00004 0.00000 -0.00001 -0.00035 0.00006 123 8PZ 0.00001 0.00001 0.00000 -0.00002 -0.00002 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00001 0.00000 0.00000 -0.00009 -0.00025 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 137 7PX 0.00000 0.00000 0.00000 -0.00002 0.00000 138 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00001 139 7PZ 0.00000 0.00000 0.00000 -0.00002 -0.00007 140 8PX 0.00000 0.00001 0.00001 -0.00017 -0.00002 141 8PY -0.00001 0.00000 -0.00004 -0.00012 0.00006 142 8PZ -0.00001 -0.00004 0.00000 -0.00012 -0.00035 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 0.00000 -0.00025 -0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 156 7PX 0.00000 0.00000 0.00000 -0.00001 -0.00002 157 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002 158 7PZ 0.00000 0.00000 0.00000 -0.00007 -0.00002 159 8PX 0.00000 -0.00001 -0.00004 0.00006 -0.00012 160 8PY 0.00001 0.00000 0.00001 -0.00002 -0.00017 161 8PZ -0.00004 -0.00001 0.00000 -0.00035 -0.00012 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 168 2S -0.00044 -0.00044 -0.00044 -0.00028 -0.00028 169 3S 0.00322 0.00322 0.00322 0.00037 0.00037 170 4S 0.00148 0.00148 0.00148 0.00203 0.00203 171 5S 0.00111 0.00111 0.00111 0.00062 0.00062 172 6PX 0.00186 0.00774 0.00774 0.00187 -0.00006 173 6PY 0.00774 0.00186 0.00774 -0.00006 0.00187 174 6PZ 0.00774 0.00774 0.00186 -0.00006 -0.00006 175 7PX 0.00867 0.01404 0.01404 0.00570 -0.00006 176 7PY 0.01404 0.00867 0.01404 -0.00006 0.00570 177 7PZ 0.01404 0.01404 0.00867 -0.00006 -0.00006 178 8PX 0.00775 0.00542 0.00542 0.00193 -0.00056 179 8PY 0.00542 0.00775 0.00542 -0.00056 0.00193 180 8PZ 0.00542 0.00542 0.00775 -0.00056 -0.00056 181 9D 0 0.00022 0.00022 0.00087 0.00002 0.00002 182 9D+1 0.00000 0.00046 0.00000 0.00003 0.00000 183 9D-1 0.00046 0.00000 0.00000 0.00000 0.00003 184 9D+2 0.00065 0.00065 0.00000 0.00006 0.00006 185 9D-2 0.00000 0.00000 0.00046 0.00003 0.00003 66 67 68 69 70 66 8PZ 0.02088 67 9D 0 0.00000 0.00261 68 9D+1 0.00000 0.00000 0.00197 69 9D-1 0.00000 0.00000 0.00000 0.00197 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00261 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 73 2S -0.00003 0.00000 0.00000 0.00000 0.00000 74 3S 0.00006 0.00000 0.00000 0.00000 0.00000 75 4S 0.00077 0.00000 0.00000 0.00001 0.00000 76 5S 0.00184 0.00001 0.00000 0.00004 0.00002 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00016 0.00000 0.00000 0.00000 0.00000 79 6PZ -0.00002 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00043 0.00000 0.00000 0.00000 0.00000 82 7PZ -0.00013 0.00000 0.00000 0.00000 0.00000 83 8PX 0.00000 0.00000 0.00002 0.00000 0.00000 84 8PY 0.00015 0.00001 0.00000 -0.00001 0.00000 85 8PZ -0.00090 0.00000 0.00000 -0.00001 0.00001 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 92 2S -0.00003 0.00000 0.00000 0.00000 0.00000 93 3S 0.00006 0.00000 0.00000 0.00000 0.00000 94 4S 0.00077 0.00000 0.00001 0.00000 0.00000 95 5S 0.00184 0.00001 0.00004 0.00000 0.00002 96 6PX 0.00016 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ -0.00002 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00043 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ -0.00013 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00015 0.00001 -0.00001 0.00000 0.00000 103 8PY 0.00000 0.00000 0.00000 0.00002 0.00000 104 8PZ -0.00090 0.00000 -0.00001 0.00000 0.00001 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S -0.00009 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00002 0.00000 0.00000 0.00000 0.00000 119 7PY -0.00002 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00002 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00012 0.00000 0.00000 0.00000 0.00000 122 8PY -0.00012 0.00000 0.00000 0.00000 0.00000 123 8PZ -0.00017 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S -0.00001 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00025 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY -0.00001 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY -0.00007 0.00000 0.00000 0.00000 0.00000 139 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00002 0.00000 0.00000 0.00000 0.00000 141 8PY -0.00035 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00006 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S -0.00001 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S -0.00025 0.00000 0.00000 0.00000 0.00000 153 6PX -0.00001 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00007 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00035 0.00000 0.00000 0.00000 0.00000 160 8PY -0.00002 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00006 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00005 0.00000 -0.00005 -0.00005 0.00000 168 2S -0.00028 0.00000 -0.00040 -0.00040 0.00000 169 3S 0.00037 0.00000 0.00170 0.00170 0.00000 170 4S 0.00203 0.00000 0.00137 0.00137 0.00000 171 5S 0.00062 0.00000 0.00009 0.00009 0.00000 172 6PX -0.00006 0.00070 0.00014 0.00374 0.00209 173 6PY -0.00006 0.00070 0.00374 0.00014 0.00209 174 6PZ 0.00187 0.00279 0.00014 0.00014 0.00000 175 7PX -0.00006 0.00115 -0.00001 0.00337 0.00345 176 7PY -0.00006 0.00115 0.00337 -0.00001 0.00345 177 7PZ 0.00570 0.00461 -0.00001 -0.00001 0.00000 178 8PX -0.00056 0.00036 0.00006 0.00041 0.00109 179 8PY -0.00056 0.00036 0.00041 0.00006 0.00109 180 8PZ 0.00193 0.00145 0.00006 0.00006 0.00000 181 9D 0 0.00007 0.00032 0.00004 0.00004 0.00000 182 9D+1 0.00003 0.00004 0.00000 0.00006 0.00012 183 9D-1 0.00003 0.00004 0.00006 0.00000 0.00012 184 9D+2 0.00000 0.00000 0.00012 0.00012 0.00032 185 9D-2 0.00000 0.00017 0.00006 0.00006 0.00000 71 72 73 74 75 71 9D-2 0.00197 72 4 C 1S 0.00000 0.45858 73 2S 0.00000 0.42326 0.84599 74 3S 0.00000 -0.00867 -0.06734 0.29183 75 4S 0.00000 -0.01129 -0.06875 0.27283 0.43895 76 5S 0.00000 -0.00084 -0.00726 0.05345 0.12985 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 8PX 0.00002 0.00000 0.00000 0.00000 0.00000 84 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 -0.00004 94 4S 0.00000 0.00000 0.00000 -0.00004 -0.00044 95 5S 0.00000 0.00001 0.00008 -0.00056 -0.00244 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00005 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00005 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 -0.00001 -0.00003 0.00006 0.00077 103 8PY 0.00002 -0.00001 -0.00003 0.00006 0.00077 104 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00002 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 -0.00003 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00003 123 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 -0.00007 0.00022 130 2S 0.00000 0.00000 0.00000 -0.00057 0.00199 131 3S 0.00000 -0.00002 -0.00020 0.00382 -0.01545 132 4S 0.00000 -0.00027 -0.00127 0.00020 -0.03852 133 5S 0.00000 0.00114 0.00720 -0.03670 -0.08141 134 6PX 0.00000 -0.00003 -0.00050 0.00792 0.00238 135 6PY 0.00000 -0.00003 -0.00050 0.00792 0.00238 136 6PZ 0.00000 -0.00003 -0.00050 0.00792 0.00238 137 7PX 0.00000 -0.00054 -0.00351 0.01631 0.00455 138 7PY 0.00000 -0.00054 -0.00351 0.01631 0.00455 139 7PZ 0.00000 -0.00054 -0.00351 0.01631 0.00455 140 8PX 0.00000 -0.00006 -0.00054 0.00510 -0.00078 141 8PY 0.00000 -0.00006 -0.00054 0.00510 -0.00078 142 8PZ 0.00000 -0.00006 -0.00054 0.00510 -0.00078 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 -0.00003 -0.00026 0.00086 0.00014 145 9D-1 0.00000 -0.00003 -0.00026 0.00086 0.00014 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 -0.00003 -0.00026 0.00086 0.00014 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00002 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 -0.00003 160 8PY 0.00000 0.00000 0.00000 0.00000 -0.00003 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00003 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00005 0.00000 0.00000 0.00000 0.00000 168 2S -0.00040 0.00000 0.00000 0.00000 0.00000 169 3S 0.00170 0.00000 0.00000 0.00000 0.00000 170 4S 0.00137 0.00000 0.00000 0.00000 0.00000 171 5S 0.00009 0.00000 0.00000 0.00000 0.00002 172 6PX 0.00014 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00014 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00374 0.00000 0.00000 0.00000 0.00000 175 7PX -0.00001 0.00000 0.00000 0.00000 0.00000 176 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00337 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00006 0.00000 0.00000 0.00000 0.00003 179 8PY 0.00006 0.00000 0.00000 0.00000 -0.00003 180 8PZ 0.00041 0.00000 0.00000 0.00000 -0.00003 181 9D 0 0.00017 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00006 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00006 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 5S 0.07254 77 6PX 0.00000 0.18923 78 6PY 0.00000 0.00000 0.18923 79 6PZ 0.00000 0.00000 0.00000 0.18923 80 7PX 0.00000 0.07411 0.00000 0.00000 0.08091 81 7PY 0.00000 0.00000 0.07411 0.00000 0.00000 82 7PZ 0.00000 0.00000 0.00000 0.07411 0.00000 83 8PX 0.00000 0.00534 0.00000 0.00000 0.01475 84 8PY 0.00000 0.00000 0.00534 0.00000 0.00000 85 8PZ 0.00000 0.00000 0.00000 0.00534 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 92 2S 0.00008 0.00000 0.00000 0.00000 0.00000 93 3S -0.00056 0.00000 0.00000 0.00000 0.00000 94 4S -0.00244 0.00000 0.00000 0.00000 0.00005 95 5S -0.00370 -0.00012 -0.00012 0.00000 -0.00016 96 6PX -0.00012 0.00000 0.00000 0.00000 0.00001 97 6PY -0.00012 0.00000 0.00000 0.00000 0.00001 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX -0.00016 0.00001 0.00001 0.00000 0.00009 100 7PY -0.00016 0.00001 0.00001 0.00000 0.00020 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00184 -0.00002 0.00016 0.00000 -0.00013 103 8PY 0.00184 0.00016 -0.00002 0.00000 0.00043 104 8PZ 0.00000 0.00000 0.00000 0.00006 0.00000 105 9D 0 0.00003 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00004 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00000 0.00000 0.00000 0.00000 113 4S 0.00002 0.00000 0.00000 0.00000 0.00000 114 5S 0.00020 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00001 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00002 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00016 0.00000 0.00000 0.00000 0.00000 122 8PY 0.00015 0.00000 0.00000 0.00000 0.00001 123 8PZ -0.00016 0.00000 0.00000 0.00000 -0.00004 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S -0.00007 -0.00010 -0.00010 -0.00010 -0.00005 130 2S -0.00016 -0.00086 -0.00086 -0.00086 -0.00044 131 3S -0.00347 0.00661 0.00661 0.00661 0.00322 132 4S -0.00441 0.00785 0.00785 0.00785 0.00148 133 5S -0.02424 0.00148 0.00148 0.00148 0.00111 134 6PX -0.00077 -0.00157 0.01303 0.01303 0.00186 135 6PY -0.00077 0.01303 -0.00157 0.01303 0.00774 136 6PZ -0.00077 0.01303 0.01303 -0.00157 0.00774 137 7PX -0.00220 0.00005 0.02116 0.02116 0.00867 138 7PY -0.00220 0.02116 0.00005 0.02116 0.01404 139 7PZ -0.00220 0.02116 0.02116 0.00005 0.01404 140 8PX -0.00326 0.00287 0.00480 0.00480 0.00775 141 8PY -0.00326 0.00480 0.00287 0.00480 0.00542 142 8PZ -0.00326 0.00480 0.00480 0.00287 0.00542 143 9D 0 0.00000 0.00029 0.00029 0.00115 0.00022 144 9D+1 -0.00001 0.00016 0.00180 0.00016 0.00000 145 9D-1 -0.00001 0.00180 0.00016 0.00016 0.00046 146 9D+2 0.00000 0.00086 0.00086 0.00000 0.00065 147 9D-2 -0.00001 0.00016 0.00016 0.00180 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00001 0.00000 0.00000 0.00000 0.00000 151 4S 0.00002 0.00000 0.00000 0.00000 0.00000 152 5S 0.00020 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00001 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00002 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00016 0.00000 0.00000 0.00000 0.00000 160 8PY -0.00016 0.00000 0.00000 0.00000 -0.00004 161 8PZ 0.00015 0.00000 0.00000 0.00000 0.00001 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00001 0.00000 0.00000 0.00000 0.00000 170 4S 0.00002 0.00000 0.00000 0.00000 0.00000 171 5S 0.00020 0.00000 0.00000 0.00000 -0.00001 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00002 0.00000 0.00000 0.00000 0.00000 176 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 177 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00015 0.00000 0.00000 0.00000 0.00000 179 8PY -0.00016 0.00000 0.00000 0.00000 -0.00001 180 8PZ -0.00016 0.00000 0.00000 0.00000 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 7PY 0.08091 82 7PZ 0.00000 0.08091 83 8PX 0.00000 0.00000 0.02088 84 8PY 0.01475 0.00000 0.00000 0.02088 85 8PZ 0.00000 0.01475 0.00000 0.00000 0.02088 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 92 2S 0.00000 0.00000 -0.00003 -0.00003 0.00000 93 3S 0.00000 0.00000 0.00006 0.00006 0.00000 94 4S 0.00005 0.00000 0.00077 0.00077 0.00000 95 5S -0.00016 0.00000 0.00184 0.00184 0.00000 96 6PX 0.00001 0.00000 -0.00002 0.00016 0.00000 97 6PY 0.00001 0.00000 0.00016 -0.00002 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00006 99 7PX 0.00020 0.00000 -0.00013 0.00043 0.00000 100 7PY 0.00009 0.00000 0.00043 -0.00013 0.00000 101 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00035 102 8PX 0.00043 0.00000 -0.00090 0.00015 0.00000 103 8PY -0.00013 0.00000 0.00015 -0.00090 0.00000 104 8PZ 0.00000 0.00035 0.00000 0.00000 0.00255 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 108 9D+2 0.00000 0.00000 0.00001 0.00001 0.00000 109 9D-2 0.00000 0.00000 -0.00001 -0.00001 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 0.00000 -0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S -0.00001 0.00000 -0.00025 -0.00009 -0.00025 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00001 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 7PX 0.00000 0.00000 -0.00001 -0.00002 -0.00007 119 7PY 0.00000 0.00000 0.00000 -0.00002 0.00000 120 7PZ 0.00000 0.00000 -0.00007 -0.00002 -0.00001 121 8PX -0.00001 -0.00004 0.00006 -0.00012 -0.00035 122 8PY 0.00000 0.00001 -0.00002 -0.00017 -0.00002 123 8PZ -0.00001 0.00000 -0.00035 -0.00012 0.00006 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 130 2S -0.00044 -0.00044 -0.00028 -0.00028 -0.00028 131 3S 0.00322 0.00322 0.00037 0.00037 0.00037 132 4S 0.00148 0.00148 0.00203 0.00203 0.00203 133 5S 0.00111 0.00111 0.00062 0.00062 0.00062 134 6PX 0.00774 0.00774 0.00187 -0.00006 -0.00006 135 6PY 0.00186 0.00774 -0.00006 0.00187 -0.00006 136 6PZ 0.00774 0.00186 -0.00006 -0.00006 0.00187 137 7PX 0.01404 0.01404 0.00570 -0.00006 -0.00006 138 7PY 0.00867 0.01404 -0.00006 0.00570 -0.00006 139 7PZ 0.01404 0.00867 -0.00006 -0.00006 0.00570 140 8PX 0.00542 0.00542 0.00193 -0.00056 -0.00056 141 8PY 0.00775 0.00542 -0.00056 0.00193 -0.00056 142 8PZ 0.00542 0.00775 -0.00056 -0.00056 0.00193 143 9D 0 0.00022 0.00087 0.00002 0.00002 0.00007 144 9D+1 0.00046 0.00000 0.00003 0.00000 0.00003 145 9D-1 0.00000 0.00000 0.00000 0.00003 0.00003 146 9D+2 0.00065 0.00000 0.00006 0.00006 0.00000 147 9D-2 0.00000 0.00046 0.00003 0.00003 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 -0.00025 -0.00025 -0.00009 153 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000 154 6PY 0.00000 0.00000 -0.00001 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 -0.00001 -0.00007 -0.00002 157 7PY 0.00000 0.00000 -0.00007 -0.00001 -0.00002 158 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 159 8PX -0.00004 -0.00001 0.00006 -0.00035 -0.00012 160 8PY 0.00000 -0.00001 -0.00035 0.00006 -0.00012 161 8PZ 0.00001 0.00000 -0.00002 -0.00002 -0.00017 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 -0.00009 -0.00025 -0.00025 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001 174 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 175 7PX 0.00000 0.00000 -0.00002 0.00000 0.00000 176 7PY 0.00000 0.00000 -0.00002 -0.00001 -0.00007 177 7PZ 0.00000 0.00000 -0.00002 -0.00007 -0.00001 178 8PX 0.00001 0.00001 -0.00017 -0.00002 -0.00002 179 8PY 0.00000 -0.00004 -0.00012 0.00006 -0.00035 180 8PZ -0.00004 0.00000 -0.00012 -0.00035 0.00006 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 9D 0 0.00261 87 9D+1 0.00000 0.00197 88 9D-1 0.00000 0.00000 0.00197 89 9D+2 0.00000 0.00000 0.00000 0.00261 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00197 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00001 0.00000 0.00000 0.00000 0.00001 95 5S 0.00003 0.00000 0.00000 0.00000 0.00004 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00001 -0.00001 103 8PY 0.00000 0.00000 0.00000 0.00001 -0.00001 104 8PZ 0.00000 0.00002 0.00002 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 -0.00005 -0.00005 0.00000 -0.00005 130 2S 0.00000 -0.00040 -0.00040 0.00000 -0.00040 131 3S 0.00000 0.00170 0.00170 0.00000 0.00170 132 4S 0.00000 0.00137 0.00137 0.00000 0.00137 133 5S 0.00000 0.00009 0.00009 0.00000 0.00009 134 6PX 0.00070 0.00014 0.00374 0.00209 0.00014 135 6PY 0.00070 0.00374 0.00014 0.00209 0.00014 136 6PZ 0.00279 0.00014 0.00014 0.00000 0.00374 137 7PX 0.00115 -0.00001 0.00337 0.00345 -0.00001 138 7PY 0.00115 0.00337 -0.00001 0.00345 -0.00001 139 7PZ 0.00461 -0.00001 -0.00001 0.00000 0.00337 140 8PX 0.00036 0.00006 0.00041 0.00109 0.00006 141 8PY 0.00036 0.00041 0.00006 0.00109 0.00006 142 8PZ 0.00145 0.00006 0.00006 0.00000 0.00041 143 9D 0 0.00032 0.00004 0.00004 0.00000 0.00017 144 9D+1 0.00004 0.00000 0.00006 0.00012 0.00006 145 9D-1 0.00004 0.00006 0.00000 0.00012 0.00006 146 9D+2 0.00000 0.00012 0.00012 0.00032 0.00000 147 9D-2 0.00017 0.00006 0.00006 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 5 C 1S 0.45858 92 2S 0.42326 0.84599 93 3S -0.00867 -0.06734 0.29183 94 4S -0.01129 -0.06875 0.27283 0.43895 95 5S -0.00084 -0.00726 0.05345 0.12985 0.07254 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00002 114 5S 0.00000 0.00000 0.00000 0.00002 0.00020 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00002 119 7PY 0.00000 0.00000 0.00000 0.00000 -0.00001 120 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 121 8PX 0.00000 0.00000 0.00000 0.00003 0.00015 122 8PY 0.00000 0.00000 0.00000 -0.00003 -0.00016 123 8PZ 0.00000 0.00000 0.00000 -0.00003 -0.00016 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00002 133 5S 0.00000 0.00000 0.00000 0.00002 0.00020 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 138 7PY 0.00000 0.00000 0.00000 0.00000 -0.00001 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00002 140 8PX 0.00000 0.00000 0.00000 -0.00003 -0.00016 141 8PY 0.00000 0.00000 0.00000 -0.00003 -0.00016 142 8PZ 0.00000 0.00000 0.00000 0.00003 0.00015 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 -0.00007 0.00022 -0.00007 149 2S 0.00000 0.00000 -0.00057 0.00199 -0.00016 150 3S -0.00002 -0.00020 0.00382 -0.01545 -0.00347 151 4S -0.00027 -0.00127 0.00020 -0.03852 -0.00441 152 5S 0.00114 0.00720 -0.03670 -0.08141 -0.02424 153 6PX -0.00003 -0.00050 0.00792 0.00238 -0.00077 154 6PY -0.00003 -0.00050 0.00792 0.00238 -0.00077 155 6PZ -0.00003 -0.00050 0.00792 0.00238 -0.00077 156 7PX -0.00054 -0.00351 0.01631 0.00455 -0.00220 157 7PY -0.00054 -0.00351 0.01631 0.00455 -0.00220 158 7PZ -0.00054 -0.00351 0.01631 0.00455 -0.00220 159 8PX -0.00006 -0.00054 0.00510 -0.00078 -0.00326 160 8PY -0.00006 -0.00054 0.00510 -0.00078 -0.00326 161 8PZ -0.00006 -0.00054 0.00510 -0.00078 -0.00326 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00003 -0.00026 0.00086 0.00014 -0.00001 164 9D-1 -0.00003 -0.00026 0.00086 0.00014 -0.00001 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00003 -0.00026 0.00086 0.00014 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00002 171 5S 0.00000 0.00000 0.00000 0.00002 0.00020 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00002 177 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 178 8PX 0.00000 0.00000 0.00000 -0.00003 -0.00016 179 8PY 0.00000 0.00000 0.00000 0.00003 0.00015 180 8PZ 0.00000 0.00000 0.00000 -0.00003 -0.00016 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 6PX 0.18923 97 6PY 0.00000 0.18923 98 6PZ 0.00000 0.00000 0.18923 99 7PX 0.07411 0.00000 0.00000 0.08091 100 7PY 0.00000 0.07411 0.00000 0.00000 0.08091 101 7PZ 0.00000 0.00000 0.07411 0.00000 0.00000 102 8PX 0.00534 0.00000 0.00000 0.01475 0.00000 103 8PY 0.00000 0.00534 0.00000 0.00000 0.01475 104 8PZ 0.00000 0.00000 0.00534 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 -0.00001 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 122 8PY 0.00000 0.00000 0.00000 -0.00001 0.00000 123 8PZ 0.00000 0.00000 0.00000 -0.00001 -0.00004 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 -0.00004 141 8PY 0.00000 0.00000 0.00000 -0.00004 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00001 0.00001 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00010 -0.00010 -0.00010 -0.00005 -0.00005 149 2S -0.00086 -0.00086 -0.00086 -0.00044 -0.00044 150 3S 0.00661 0.00661 0.00661 0.00322 0.00322 151 4S 0.00785 0.00785 0.00785 0.00148 0.00148 152 5S 0.00148 0.00148 0.00148 0.00111 0.00111 153 6PX -0.00157 0.01303 0.01303 0.00186 0.00774 154 6PY 0.01303 -0.00157 0.01303 0.00774 0.00186 155 6PZ 0.01303 0.01303 -0.00157 0.00774 0.00774 156 7PX 0.00005 0.02116 0.02116 0.00867 0.01404 157 7PY 0.02116 0.00005 0.02116 0.01404 0.00867 158 7PZ 0.02116 0.02116 0.00005 0.01404 0.01404 159 8PX 0.00287 0.00480 0.00480 0.00775 0.00542 160 8PY 0.00480 0.00287 0.00480 0.00542 0.00775 161 8PZ 0.00480 0.00480 0.00287 0.00542 0.00542 162 9D 0 0.00029 0.00029 0.00115 0.00022 0.00022 163 9D+1 0.00016 0.00180 0.00016 0.00000 0.00046 164 9D-1 0.00180 0.00016 0.00016 0.00046 0.00000 165 9D+2 0.00086 0.00086 0.00000 0.00065 0.00065 166 9D-2 0.00016 0.00016 0.00180 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 -0.00001 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 -0.00001 179 8PY 0.00000 0.00000 0.00000 0.00001 0.00000 180 8PZ 0.00000 0.00000 0.00000 -0.00004 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 7PZ 0.08091 102 8PX 0.00000 0.02088 103 8PY 0.00000 0.00000 0.02088 104 8PZ 0.01475 0.00000 0.00000 0.02088 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00261 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 -0.00009 -0.00025 -0.00025 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 -0.00001 0.00000 117 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000 119 7PY 0.00000 -0.00002 -0.00001 -0.00007 0.00000 120 7PZ 0.00000 -0.00002 -0.00007 -0.00001 0.00000 121 8PX 0.00001 -0.00017 -0.00002 -0.00002 0.00000 122 8PY -0.00004 -0.00012 0.00006 -0.00035 0.00000 123 8PZ 0.00000 -0.00012 -0.00035 0.00006 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00001 -0.00025 -0.00025 -0.00009 0.00000 134 6PX 0.00000 0.00000 -0.00001 0.00000 0.00000 135 6PY 0.00000 -0.00001 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 -0.00001 -0.00007 -0.00002 0.00000 138 7PY 0.00000 -0.00007 -0.00001 -0.00002 0.00000 139 7PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 140 8PX -0.00001 0.00006 -0.00035 -0.00012 0.00000 141 8PY -0.00001 -0.00035 0.00006 -0.00012 0.00000 142 8PZ 0.00000 -0.00002 -0.00002 -0.00017 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00005 -0.00005 -0.00005 -0.00005 0.00000 149 2S -0.00044 -0.00028 -0.00028 -0.00028 0.00000 150 3S 0.00322 0.00037 0.00037 0.00037 0.00000 151 4S 0.00148 0.00203 0.00203 0.00203 0.00000 152 5S 0.00111 0.00062 0.00062 0.00062 0.00000 153 6PX 0.00774 0.00187 -0.00006 -0.00006 0.00070 154 6PY 0.00774 -0.00006 0.00187 -0.00006 0.00070 155 6PZ 0.00186 -0.00006 -0.00006 0.00187 0.00279 156 7PX 0.01404 0.00570 -0.00006 -0.00006 0.00115 157 7PY 0.01404 -0.00006 0.00570 -0.00006 0.00115 158 7PZ 0.00867 -0.00006 -0.00006 0.00570 0.00461 159 8PX 0.00542 0.00193 -0.00056 -0.00056 0.00036 160 8PY 0.00542 -0.00056 0.00193 -0.00056 0.00036 161 8PZ 0.00775 -0.00056 -0.00056 0.00193 0.00145 162 9D 0 0.00087 0.00002 0.00002 0.00007 0.00032 163 9D+1 0.00000 0.00003 0.00000 0.00003 0.00004 164 9D-1 0.00000 0.00000 0.00003 0.00003 0.00004 165 9D+2 0.00000 0.00006 0.00006 0.00000 0.00000 166 9D-2 0.00046 0.00003 0.00003 0.00000 0.00017 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 -0.00001 0.00000 -0.00001 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 -0.00025 -0.00009 -0.00025 0.00000 172 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 175 7PX 0.00000 -0.00001 -0.00002 -0.00007 0.00000 176 7PY 0.00000 0.00000 -0.00002 0.00000 0.00000 177 7PZ 0.00000 -0.00007 -0.00002 -0.00001 0.00000 178 8PX -0.00004 0.00006 -0.00012 -0.00035 0.00000 179 8PY 0.00001 -0.00002 -0.00017 -0.00002 0.00000 180 8PZ 0.00000 -0.00035 -0.00012 0.00006 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 9D+1 0.00197 107 9D-1 0.00000 0.00197 108 9D+2 0.00000 0.00000 0.00261 109 9D-2 0.00000 0.00000 0.00000 0.00197 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.40139 111 2S 0.00000 0.00000 0.00000 0.00000 0.41615 112 3S 0.00000 0.00000 0.00000 0.00000 -0.00960 113 4S 0.00000 0.00000 0.00000 0.00000 -0.01254 114 5S 0.00000 0.00000 0.00000 0.00000 -0.00155 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00005 -0.00005 0.00000 -0.00005 0.00000 149 2S -0.00040 -0.00040 0.00000 -0.00040 0.00000 150 3S 0.00170 0.00170 0.00000 0.00170 0.00000 151 4S 0.00137 0.00137 0.00000 0.00137 0.00000 152 5S 0.00009 0.00009 0.00000 0.00009 0.00000 153 6PX 0.00014 0.00374 0.00209 0.00014 0.00000 154 6PY 0.00374 0.00014 0.00209 0.00014 0.00000 155 6PZ 0.00014 0.00014 0.00000 0.00374 0.00000 156 7PX -0.00001 0.00337 0.00345 -0.00001 0.00000 157 7PY 0.00337 -0.00001 0.00345 -0.00001 0.00000 158 7PZ -0.00001 -0.00001 0.00000 0.00337 0.00000 159 8PX 0.00006 0.00041 0.00109 0.00006 0.00000 160 8PY 0.00041 0.00006 0.00109 0.00006 0.00000 161 8PZ 0.00006 0.00006 0.00000 0.00041 0.00000 162 9D 0 0.00004 0.00004 0.00000 0.00017 0.00000 163 9D+1 0.00000 0.00006 0.00012 0.00006 0.00000 164 9D-1 0.00006 0.00000 0.00012 0.00006 0.00000 165 9D+2 0.00012 0.00012 0.00032 0.00000 0.00000 166 9D-2 0.00006 0.00006 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 2S 0.94588 112 3S -0.07893 0.28398 113 4S -0.08746 0.31641 0.50235 114 5S -0.01441 0.09458 0.20046 0.14838 115 6PX 0.00000 0.00000 0.00000 0.00000 0.36770 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.17434 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.03435 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 6PY 0.36770 117 6PZ 0.00000 0.36770 118 7PX 0.00000 0.00000 0.22518 119 7PY 0.17434 0.00000 0.00000 0.22518 120 7PZ 0.00000 0.17434 0.00000 0.00000 0.22518 121 8PX 0.00000 0.00000 0.08084 0.00000 0.00000 122 8PY 0.03435 0.00000 0.00000 0.08084 0.00000 123 8PZ 0.00000 0.03435 0.00000 0.00000 0.08084 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 8PX 0.06716 122 8PY 0.00000 0.06716 123 8PZ 0.00000 0.00000 0.06716 124 9D 0 0.00000 0.00000 0.00000 0.00118 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00094 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00002 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00002 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00002 0.00000 0.00000 161 8PZ 0.00000 0.00002 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00002 0.00000 0.00000 0.00000 179 8PY 0.00002 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 9D-1 0.00094 127 9D+2 0.00000 0.00118 128 9D-2 0.00000 0.00000 0.00094 129 7 O 1S 0.00000 0.00000 0.00000 0.40139 130 2S 0.00000 0.00000 0.00000 0.41615 0.94588 131 3S 0.00000 0.00000 0.00000 -0.00960 -0.07893 132 4S 0.00000 0.00000 0.00000 -0.01254 -0.08746 133 5S 0.00000 0.00000 0.00000 -0.00155 -0.01441 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 3S 0.28398 132 4S 0.31641 0.50235 133 5S 0.09458 0.20046 0.14838 134 6PX 0.00000 0.00000 0.00000 0.36770 135 6PY 0.00000 0.00000 0.00000 0.00000 0.36770 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.17434 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.17434 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.03435 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.03435 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 6PZ 0.36770 137 7PX 0.00000 0.22518 138 7PY 0.00000 0.00000 0.22518 139 7PZ 0.17434 0.00000 0.00000 0.22518 140 8PX 0.00000 0.08084 0.00000 0.00000 0.06716 141 8PY 0.00000 0.00000 0.08084 0.00000 0.00000 142 8PZ 0.03435 0.00000 0.00000 0.08084 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00002 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 8PY 0.06716 142 8PZ 0.00000 0.06716 143 9D 0 0.00000 0.00000 0.00118 144 9D+1 0.00000 0.00000 0.00000 0.00094 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00094 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00002 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00002 0.00000 0.00000 0.00000 180 8PZ 0.00002 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 9D+2 0.00118 147 9D-2 0.00000 0.00094 148 8 O 1S 0.00000 0.00000 0.40139 149 2S 0.00000 0.00000 0.41615 0.94588 150 3S 0.00000 0.00000 -0.00960 -0.07893 0.28398 151 4S 0.00000 0.00000 -0.01254 -0.08746 0.31641 152 5S 0.00000 0.00000 -0.00155 -0.01441 0.09458 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4S 0.50235 152 5S 0.20046 0.14838 153 6PX 0.00000 0.00000 0.36770 154 6PY 0.00000 0.00000 0.00000 0.36770 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.36770 156 7PX 0.00000 0.00000 0.17434 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.17434 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.17434 159 8PX 0.00000 0.00000 0.03435 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.03435 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.03435 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 7PX 0.22518 157 7PY 0.00000 0.22518 158 7PZ 0.00000 0.00000 0.22518 159 8PX 0.08084 0.00000 0.00000 0.06716 160 8PY 0.00000 0.08084 0.00000 0.00000 0.06716 161 8PZ 0.00000 0.00000 0.08084 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 8PZ 0.06716 162 9D 0 0.00000 0.00118 163 9D+1 0.00000 0.00000 0.00094 164 9D-1 0.00000 0.00000 0.00000 0.00094 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00118 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00002 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 9D-2 0.00094 167 9 O 1S 0.00000 0.40139 168 2S 0.00000 0.41615 0.94588 169 3S 0.00000 -0.00960 -0.07893 0.28398 170 4S 0.00000 -0.01254 -0.08746 0.31641 0.50235 171 5S 0.00000 -0.00155 -0.01441 0.09458 0.20046 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 5S 0.14838 172 6PX 0.00000 0.36770 173 6PY 0.00000 0.00000 0.36770 174 6PZ 0.00000 0.00000 0.00000 0.36770 175 7PX 0.00000 0.17434 0.00000 0.00000 0.22518 176 7PY 0.00000 0.00000 0.17434 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.17434 0.00000 178 8PX 0.00000 0.03435 0.00000 0.00000 0.08084 179 8PY 0.00000 0.00000 0.03435 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.03435 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 7PY 0.22518 177 7PZ 0.00000 0.22518 178 8PX 0.00000 0.00000 0.06716 179 8PY 0.08084 0.00000 0.00000 0.06716 180 8PZ 0.00000 0.08084 0.00000 0.00000 0.06716 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 9D 0 0.00118 182 9D+1 0.00000 0.00094 183 9D-1 0.00000 0.00000 0.00094 184 9D+2 0.00000 0.00000 0.00000 0.00118 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00094 Gross orbital populations: 1 1 1 Ni 1S 1.99966 2 2S 2.00107 3 3S 1.18509 4 4S 0.79052 5 5S 0.48580 6 6S 0.10125 7 7PX 1.99497 8 7PY 1.99497 9 7PZ 1.99497 10 8PX 1.60342 11 8PY 1.60342 12 8PZ 1.60342 13 9PX 0.40505 14 9PY 0.40505 15 9PZ 0.40505 16 10PX 0.30272 17 10PY 0.30272 18 10PZ 0.30272 19 11D 0 0.87284 20 11D+1 0.84218 21 11D-1 0.84218 22 11D+2 0.87284 23 11D-2 0.84218 24 12D 0 0.55972 25 12D+1 0.54401 26 12D-1 0.54401 27 12D+2 0.55972 28 12D-2 0.54401 29 13D 0 0.35732 30 13D+1 0.33207 31 13D-1 0.33207 32 13D+2 0.35732 33 13D-2 0.33207 34 2 C 1S 0.85899 35 2S 1.11100 36 3S 0.63310 37 4S 0.74362 38 5S 0.22487 39 6PX 0.38031 40 6PY 0.38031 41 6PZ 0.38031 42 7PX 0.27611 43 7PY 0.27611 44 7PZ 0.27611 45 8PX 0.07136 46 8PY 0.07136 47 8PZ 0.07136 48 9D 0 0.01808 49 9D+1 0.01386 50 9D-1 0.01386 51 9D+2 0.01808 52 9D-2 0.01386 53 3 C 1S 0.85899 54 2S 1.11100 55 3S 0.63310 56 4S 0.74362 57 5S 0.22487 58 6PX 0.38031 59 6PY 0.38031 60 6PZ 0.38031 61 7PX 0.27611 62 7PY 0.27611 63 7PZ 0.27611 64 8PX 0.07136 65 8PY 0.07136 66 8PZ 0.07136 67 9D 0 0.01808 68 9D+1 0.01386 69 9D-1 0.01386 70 9D+2 0.01808 71 9D-2 0.01386 72 4 C 1S 0.85899 73 2S 1.11100 74 3S 0.63310 75 4S 0.74362 76 5S 0.22487 77 6PX 0.38031 78 6PY 0.38031 79 6PZ 0.38031 80 7PX 0.27611 81 7PY 0.27611 82 7PZ 0.27611 83 8PX 0.07136 84 8PY 0.07136 85 8PZ 0.07136 86 9D 0 0.01808 87 9D+1 0.01386 88 9D-1 0.01386 89 9D+2 0.01808 90 9D-2 0.01386 91 5 C 1S 0.85899 92 2S 1.11100 93 3S 0.63310 94 4S 0.74362 95 5S 0.22487 96 6PX 0.38031 97 6PY 0.38031 98 6PZ 0.38031 99 7PX 0.27611 100 7PY 0.27611 101 7PZ 0.27611 102 8PX 0.07136 103 8PY 0.07136 104 8PZ 0.07136 105 9D 0 0.01808 106 9D+1 0.01386 107 9D-1 0.01386 108 9D+2 0.01808 109 9D-2 0.01386 110 6 O 1S 0.79322 111 2S 1.17672 112 3S 0.62593 113 4S 0.91164 114 5S 0.29739 115 6PX 0.63507 116 6PY 0.63507 117 6PZ 0.63507 118 7PX 0.58486 119 7PY 0.58486 120 7PZ 0.58486 121 8PX 0.20839 122 8PY 0.20839 123 8PZ 0.20839 124 9D 0 0.00489 125 9D+1 0.00453 126 9D-1 0.00453 127 9D+2 0.00489 128 9D-2 0.00453 129 7 O 1S 0.79322 130 2S 1.17672 131 3S 0.62593 132 4S 0.91164 133 5S 0.29739 134 6PX 0.63507 135 6PY 0.63507 136 6PZ 0.63507 137 7PX 0.58486 138 7PY 0.58486 139 7PZ 0.58486 140 8PX 0.20839 141 8PY 0.20839 142 8PZ 0.20839 143 9D 0 0.00489 144 9D+1 0.00453 145 9D-1 0.00453 146 9D+2 0.00489 147 9D-2 0.00453 148 8 O 1S 0.79322 149 2S 1.17672 150 3S 0.62593 151 4S 0.91164 152 5S 0.29739 153 6PX 0.63507 154 6PY 0.63507 155 6PZ 0.63507 156 7PX 0.58486 157 7PY 0.58486 158 7PZ 0.58486 159 8PX 0.20839 160 8PY 0.20839 161 8PZ 0.20839 162 9D 0 0.00489 163 9D+1 0.00453 164 9D-1 0.00453 165 9D+2 0.00489 166 9D-2 0.00453 167 9 O 1S 0.79322 168 2S 1.17672 169 3S 0.62593 170 4S 0.91164 171 5S 0.29739 172 6PX 0.63507 173 6PY 0.63507 174 6PZ 0.63507 175 7PX 0.58486 176 7PY 0.58486 177 7PZ 0.58486 178 8PX 0.20839 179 8PY 0.20839 180 8PZ 0.20839 181 9D 0 0.00489 182 9D+1 0.00453 183 9D-1 0.00453 184 9D+2 0.00489 185 9D-2 0.00453 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Ni 27.037196 0.332636 0.332636 0.332636 0.332636 -0.037842 2 C 0.332636 4.987745 0.004026 0.004026 0.004026 0.505994 3 C 0.332636 0.004026 4.987745 0.004026 0.004026 -0.001933 4 C 0.332636 0.004026 0.004026 4.987745 0.004026 -0.001933 5 C 0.332636 0.004026 0.004026 0.004026 4.987745 -0.001933 6 O -0.037842 0.505994 -0.001933 -0.001933 -0.001933 7.650691 7 O -0.037842 -0.001933 -0.001933 0.505994 -0.001933 0.000069 8 O -0.037842 -0.001933 -0.001933 -0.001933 0.505994 0.000069 9 O -0.037842 -0.001933 0.505994 -0.001933 -0.001933 0.000069 7 8 9 1 Ni -0.037842 -0.037842 -0.037842 2 C -0.001933 -0.001933 -0.001933 3 C -0.001933 -0.001933 0.505994 4 C 0.505994 -0.001933 -0.001933 5 C -0.001933 0.505994 -0.001933 6 O 0.000069 0.000069 0.000069 7 O 7.650691 0.000069 0.000069 8 O 0.000069 7.650691 0.000069 9 O 0.000069 0.000069 7.650691 Mulliken atomic charges: 1 1 Ni -0.216371 2 C 0.167345 3 C 0.167345 4 C 0.167345 5 C 0.167345 6 O -0.113252 7 O -0.113252 8 O -0.113252 9 O -0.113252 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Ni -0.216371 2 C 0.167345 3 C 0.167345 4 C 0.167345 5 C 0.167345 6 O -0.113252 7 O -0.113252 8 O -0.113252 9 O -0.113252 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Electronic spatial extent (au): = 1499.4640 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -58.5708 YY= -58.5708 ZZ= -58.5708 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0000 YY= 0.0000 ZZ= 0.0000 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= -11.8977 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -604.4271 YYYY= -604.4271 ZZZZ= -604.4271 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -221.4460 XXZZ= -221.4460 YYZZ= -221.4460 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 5.843553274566D+02 E-N=-5.835685695528D+03 KE= 1.958067313280D+03 Symmetry A KE= 1.072966365926D+03 Symmetry B1 KE= 2.950336491181D+02 Symmetry B2 KE= 2.950336491181D+02 Symmetry B3 KE= 2.950336491181D+02 Orbital energies and kinetic energies (alpha): 1 2 1 (A1)--O -299.842783 378.599542 2 (A1)--O -35.777297 71.063206 3 (T2)--O -31.201131 69.984877 4 (T2)--O -31.201131 69.984877 5 (T2)--O -31.201131 69.984877 6 (A1)--O -19.230773 29.081153 7 (T2)--O -19.230771 29.081359 8 (T2)--O -19.230771 29.081359 9 (T2)--O -19.230771 29.081359 10 (A1)--O -10.303326 15.935591 11 (T2)--O -10.303315 15.936257 12 (T2)--O -10.303315 15.936257 13 (T2)--O -10.303315 15.936257 14 (A1)--O -4.013664 15.257102 15 (T2)--O -2.601710 13.503874 16 (T2)--O -2.601710 13.503874 17 (T2)--O -2.601710 13.503874 18 (A1)--O -1.179832 2.976219 19 (T2)--O -1.179683 2.979088 20 (T2)--O -1.179683 2.979088 21 (T2)--O -1.179683 2.979088 22 (A1)--O -0.594402 2.462533 23 (T2)--O -0.582499 2.714504 24 (T2)--O -0.582499 2.714504 25 (T2)--O -0.582499 2.714504 26 (A1)--O -0.496527 1.908229 27 (E)--O -0.492018 2.039945 28 (E)--O -0.492018 2.039945 29 (T2)--O -0.491387 2.002084 30 (T2)--O -0.491387 2.002084 31 (T2)--O -0.491387 2.002084 32 (T1)--O -0.486007 2.065625 33 (T1)--O -0.486007 2.065625 34 (T1)--O -0.486007 2.065625 35 (T2)--O -0.448165 2.678990 36 (T2)--O -0.448165 2.678990 37 (T2)--O -0.448165 2.678990 38 (E)--O -0.286742 7.559859 39 (E)--O -0.286742 7.559859 40 (T2)--O -0.251136 6.570167 41 (T2)--O -0.251136 6.570167 42 (T2)--O -0.251136 6.570167 43 (T2)--V -0.045307 3.264949 44 (T2)--V -0.045307 3.264949 45 (T2)--V -0.045307 3.264949 46 (E)--V -0.033980 3.066606 47 (E)--V -0.033980 3.066606 48 (T1)--V -0.014418 2.067852 49 (T1)--V -0.014418 2.067852 50 (T1)--V -0.014418 2.067852 51 (A1)--V 0.024775 0.392307 52 (T2)--V 0.107979 0.744850 53 (T2)--V 0.107979 0.744850 54 (T2)--V 0.107979 0.744850 55 (A1)--V 0.188438 1.765451 56 (T2)--V 0.198323 0.934942 57 (T2)--V 0.198323 0.934942 58 (T2)--V 0.198323 0.934942 59 (E)--V 0.215579 0.853642 60 (E)--V 0.215579 0.853642 61 (T1)--V 0.284025 0.819799 62 (T1)--V 0.284025 0.819799 63 (T1)--V 0.284025 0.819799 64 (A1)--V 0.294957 1.901300 65 (T2)--V 0.316676 0.903096 66 (T2)--V 0.316676 0.903096 67 (T2)--V 0.316676 0.903096 68 (A1)--V 0.325311 0.999277 69 (T2)--V 0.371178 2.478142 70 (T2)--V 0.371178 2.478142 71 (T2)--V 0.371178 2.478142 72 (A1)--V 0.453904 1.230082 73 (T2)--V 0.482214 1.290291 74 (T2)--V 0.482214 1.290291 75 (T2)--V 0.482214 1.290291 76 (E)--V 0.515134 1.731047 77 (E)--V 0.515134 1.731047 78 (T2)--V 0.548563 1.421421 79 (T2)--V 0.548563 1.421421 80 (T2)--V 0.548563 1.421421 81 (T1)--V 0.623392 1.536083 82 (T1)--V 0.623392 1.536083 83 (T1)--V 0.623392 1.536083 84 (T2)--V 0.678996 3.314864 85 (T2)--V 0.678996 3.314864 86 (T2)--V 0.678996 3.314864 87 (T2)--V 0.817277 2.240474 88 (T2)--V 0.817277 2.240474 89 (T2)--V 0.817277 2.240474 90 (A1)--V 0.819368 3.787803 91 (A1)--V 0.867907 2.252600 92 (E)--V 0.907171 3.855630 93 (E)--V 0.907171 3.855630 94 (T2)--V 1.304469 4.971615 95 (T2)--V 1.304469 4.971615 96 (T2)--V 1.304469 4.971615 97 (T2)--V 1.341536 4.120962 98 (T2)--V 1.341536 4.120962 99 (T2)--V 1.341536 4.120962 100 (T1)--V 1.373908 3.585355 101 (T1)--V 1.373908 3.585355 102 (T1)--V 1.373908 3.585355 103 (T2)--V 1.427652 3.783519 104 (T2)--V 1.427652 3.783519 105 (T2)--V 1.427652 3.783519 106 (E)--V 1.429062 3.681776 107 (E)--V 1.429062 3.681776 108 (A1)--V 1.432321 3.893495 109 (T1)--V 1.598614 2.800240 110 (T1)--V 1.598614 2.800240 111 (T1)--V 1.598614 2.800240 112 (E)--V 1.607159 2.918287 113 (E)--V 1.607159 2.918287 114 (T2)--V 1.610253 3.056945 115 (T2)--V 1.610253 3.056945 116 (T2)--V 1.610253 3.056945 117 (T1)--V 1.660111 3.395033 118 (T1)--V 1.660111 3.395033 119 (T1)--V 1.660111 3.395033 120 (T2)--V 1.733522 3.711442 121 (T2)--V 1.733522 3.711442 122 (T2)--V 1.733522 3.711442 123 (E)--V 1.903375 3.869669 124 (E)--V 1.903375 3.869669 125 (T2)--V 1.928250 3.811391 126 (T2)--V 1.928250 3.811391 127 (T2)--V 1.928250 3.811391 128 (A1)--V 1.970448 4.481293 129 (T2)--V 2.285938 7.000243 130 (T2)--V 2.285938 7.000243 131 (T2)--V 2.285938 7.000243 132 (A1)--V 2.345396 4.079425 133 (T2)--V 2.448915 7.831535 134 (T2)--V 2.448915 7.831535 135 (T2)--V 2.448915 7.831535 136 (E)--V 2.564703 6.560090 137 (E)--V 2.564703 6.560090 138 (T2)--V 2.567747 6.602888 139 (T2)--V 2.567747 6.602888 140 (T2)--V 2.567747 6.602888 141 (T1)--V 2.595697 4.424741 142 (T1)--V 2.595697 4.424741 143 (T1)--V 2.595697 4.424741 144 (E)--V 2.599767 4.361745 145 (E)--V 2.599767 4.361745 146 (T2)--V 2.604600 4.383367 147 (T2)--V 2.604600 4.383367 148 (T2)--V 2.604600 4.383367 149 (T1)--V 2.621558 6.486591 150 (T1)--V 2.621558 6.486591 151 (T1)--V 2.621558 6.486591 152 (A1)--V 2.807105 6.963300 153 (T2)--V 2.917086 7.187834 154 (T2)--V 2.917086 7.187834 155 (T2)--V 2.917086 7.187834 156 (A1)--V 3.103526 7.954358 157 (T2)--V 3.134784 7.918595 158 (T2)--V 3.134784 7.918595 159 (T2)--V 3.134784 7.918595 160 (T1)--V 3.259815 5.218277 161 (T1)--V 3.259815 5.218277 162 (T1)--V 3.259815 5.218277 163 (T2)--V 3.281623 5.395551 164 (T2)--V 3.281623 5.395551 165 (T2)--V 3.281623 5.395551 166 (E)--V 3.299099 5.459145 167 (E)--V 3.299099 5.459145 168 (A1)--V 3.647108 17.413144 169 (E)--V 4.210988 14.078155 170 (E)--V 4.210988 14.078155 171 (T2)--V 4.211030 9.804332 172 (T2)--V 4.211030 9.804332 173 (T2)--V 4.211030 9.804332 174 (A1)--V 4.392641 8.476556 175 (T2)--V 4.522798 12.115230 176 (T2)--V 4.522798 12.115230 177 (T2)--V 4.522798 12.115230 178 (T2)--V 21.918935 55.568392 179 (T2)--V 21.918935 55.568392 180 (T2)--V 21.918935 55.568392 181 (A1)--V 22.107054 55.757496 182 (T2)--V 43.342785 108.519987 183 (T2)--V 43.342785 108.519987 184 (T2)--V 43.342785 108.519987 185 (A1)--V 43.393981 108.573698 Total kinetic energy from orbitals= 1.958067313280D+03 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 28 0.000000000 0.000000000 0.000000000 2 6 -0.022286195 -0.031516664 0.054588759 3 6 -0.022285048 0.063033990 0.000000056 4 6 -0.022286121 -0.031516541 -0.054588860 5 6 0.066857365 -0.000000785 0.000000045 6 8 0.016698420 0.023614551 -0.040901824 7 8 0.016698365 0.023614459 0.040901900 8 8 -0.050094346 0.000000588 -0.000000034 9 8 0.016697561 -0.047229598 -0.000000042 ------------------------------------------------------------------- Cartesian Forces: Max 0.066857365 RMS 0.032155526 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.050094346 RMS 0.020719527 Search for a local minimum. Step number 1 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. Eigenvalues --- 0.05456 0.05456 0.05456 0.05456 0.05456 Eigenvalues --- 0.05456 0.05456 0.05456 0.10148 0.11009 Eigenvalues --- 0.14988 0.17308 0.17308 0.17308 0.17308 Eigenvalues --- 0.25000 0.25000 1.62060 1.62060 1.62060 Eigenvalues --- 1.620601000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 RFO step: Lambda=-1.22136401D-02 EMin= 5.45649278D-02 Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.04253379 RMS(Int)= 0.00000003 Iteration 2 RMS(Cart)= 0.00000011 RMS(Int)= 0.00000000 ClnCor: largest displacement from symmetrization is 7.26D-09 for atom 9. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.62827 -0.01676 0.00000 -0.09047 -0.09047 3.53780 R2 3.62827 -0.01676 0.00000 -0.09047 -0.09047 3.53780 R3 3.62827 -0.01676 0.00000 -0.09047 -0.09047 3.53780 R4 3.62827 -0.01676 0.00000 -0.09047 -0.09047 3.53780 R5 2.10780 0.05009 0.00000 0.03068 0.03068 2.13848 R6 2.10780 0.05009 0.00000 0.03068 0.03068 2.13848 R7 2.10780 0.05009 0.00000 0.03068 0.03068 2.13848 R8 2.10780 0.05009 0.00000 0.03068 0.03068 2.13848 A1 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A2 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A3 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A4 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A5 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A6 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A7 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A8 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A9 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A10 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A11 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A12 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A13 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A14 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 D1 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D2 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 D3 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D4 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 Item Value Threshold Converged? Maximum Force 0.050094 0.000450 NO RMS Force 0.020720 0.000300 NO Maximum Displacement 0.090469 0.001800 NO RMS Displacement 0.042534 0.001200 NO Predicted change in Energy=-6.329739D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 -0.786517 -0.355804 0.000000 2 6 0 -0.162464 0.526718 -1.528583 3 6 0 -0.162496 -2.120869 -0.000002 4 6 0 -0.162466 0.526715 1.528585 5 6 0 -2.658642 -0.355782 -0.000001 6 8 0 0.214755 1.060173 -2.452558 7 8 0 0.214752 1.060167 2.452562 8 8 0 -3.790277 -0.355769 -0.000002 9 8 0 0.214703 -3.187789 -0.000003 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Ni 0.000000 2 C 1.872126 0.000000 3 C 1.872126 3.057168 0.000000 4 C 1.872126 3.057168 3.057168 0.000000 5 C 1.872126 3.057168 3.057168 3.057168 0.000000 6 O 3.003761 1.131635 4.034399 4.034399 4.034399 7 O 3.003761 4.034399 4.034399 1.131635 4.034399 8 O 3.003761 4.034399 4.034399 4.034399 1.131635 9 O 3.003761 4.034399 1.131635 4.034399 4.034399 6 7 8 9 6 O 0.000000 7 O 4.905120 0.000000 8 O 4.905120 4.905120 0.000000 9 O 4.905120 4.905120 4.905120 0.000000 Stoichiometry C4NiO4 Framework group TD[O(Ni),4C3(.CO)] Deg. of freedom 2 Full point group TD NOp 24 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 2 6 0 1.080872 1.080872 1.080872 3 6 0 -1.080872 -1.080872 1.080872 4 6 0 -1.080872 1.080872 -1.080872 5 6 0 1.080872 -1.080872 -1.080872 6 8 0 1.734222 1.734222 1.734222 7 8 0 -1.734222 1.734222 -1.734222 8 8 0 1.734222 -1.734222 -1.734222 9 8 0 -1.734222 -1.734222 1.734222 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0168668 1.0168668 1.0168668 Standard basis: TZVP (5D, 7F) There are 50 symmetry adapted basis functions of A symmetry. There are 45 symmetry adapted basis functions of B1 symmetry. There are 45 symmetry adapted basis functions of B2 symmetry. There are 45 symmetry adapted basis functions of B3 symmetry. Integral buffers will be 262144 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 185 basis functions, 366 primitive gaussians, 196 cartesian basis functions 42 alpha electrons 42 beta electrons nuclear repulsion energy 591.9484156075 Hartrees. NAtoms= 9 NActive= 9 NUniq= 3 SFac= 3.00D+00 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 185 RedAO= T NBF= 50 45 45 45 NBsUse= 185 1.00D-06 NBFU= 50 45 45 45 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (A1) (E) (E) (T2) (T2) (T2) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 4.68D-02 ExpMax= 3.52D+05 ExpMxC= 3.39D+03 IAcc=2 IRadAn= 0 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. EnCoef did 3 forward-backward iterations SCF Done: E(RB3LYP) = -1961.94124739 A.U. after 11 cycles Convg = 0.1136D-08 -V/T = 2.0021 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 28 0.000000000 0.000000000 0.000000000 2 6 -0.005959889 -0.008428349 0.014598407 3 6 -0.005959582 0.016856874 0.000000015 4 6 -0.005959869 -0.008428316 -0.014598434 5 6 0.017879341 -0.000000210 0.000000012 6 8 0.003601155 0.005092677 -0.008820824 7 8 0.003601143 0.005092657 0.008820840 8 8 -0.010803268 0.000000127 -0.000000007 9 8 0.003600970 -0.010185461 -0.000000009 ------------------------------------------------------------------- Cartesian Forces: Max 0.017879341 RMS 0.008040467 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.010803268 RMS 0.005065440 Search for a local minimum. Step number 2 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -8.09D-03 DEPred=-6.33D-03 R= 1.28D+00 SS= 1.41D+00 RLast= 1.91D-01 DXNew= 5.0454D-01 5.7318D-01 Trust test= 1.28D+00 RLast= 1.91D-01 DXMaxT set to 5.05D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.05456 0.05456 0.05456 0.05456 0.05456 Eigenvalues --- 0.05456 0.05456 0.05456 0.10148 0.11009 Eigenvalues --- 0.13001 0.14988 0.17308 0.17308 0.17308 Eigenvalues --- 0.25000 0.25000 1.52670 1.62060 1.62060 Eigenvalues --- 1.620601000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 RFO step: Lambda=-2.50591614D-04 EMin= 5.45649278D-02 Quartic linear search produced a step of 0.45002. Iteration 1 RMS(Cart)= 0.02841216 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 ClnCor: largest displacement from symmetrization is 1.60D-08 for atom 8. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.53780 -0.00708 -0.04071 -0.01528 -0.05599 3.48181 R2 3.53780 -0.00708 -0.04071 -0.01528 -0.05599 3.48181 R3 3.53780 -0.00708 -0.04071 -0.01528 -0.05599 3.48181 R4 3.53780 -0.00708 -0.04071 -0.01528 -0.05599 3.48181 R5 2.13848 0.01080 0.01381 -0.00377 0.01003 2.14851 R6 2.13848 0.01080 0.01381 -0.00377 0.01003 2.14851 R7 2.13848 0.01080 0.01381 -0.00377 0.01003 2.14851 R8 2.13848 0.01080 0.01381 -0.00377 0.01003 2.14851 A1 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A2 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A3 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A4 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A5 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A6 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A7 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A8 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A9 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A10 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A11 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A12 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A13 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A14 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 D1 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D2 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 D3 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D4 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 Item Value Threshold Converged? Maximum Force 0.010803 0.000450 NO RMS Force 0.005065 0.000300 NO Maximum Displacement 0.055990 0.001800 NO RMS Displacement 0.028412 0.001200 NO Predicted change in Energy=-1.050469D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 -0.786517 -0.355804 0.000000 2 6 0 -0.172340 0.512751 -1.504391 3 6 0 -0.172372 -2.092934 -0.000002 4 6 0 -0.172342 0.512748 1.504394 5 6 0 -2.629014 -0.355783 -0.000001 6 8 0 0.206648 1.048708 -2.432701 7 8 0 0.206645 1.048703 2.432705 8 8 0 -3.765957 -0.355769 -0.000002 9 8 0 0.206597 -3.164859 -0.000003 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Ni 0.000000 2 C 1.842497 0.000000 3 C 1.842497 3.008785 0.000000 4 C 1.842497 3.008785 3.008785 0.000000 5 C 1.842497 3.008785 3.008785 3.008785 0.000000 6 O 2.979440 1.136944 3.991441 3.991441 3.991441 7 O 2.979440 3.991441 3.991441 1.136944 3.991441 8 O 2.979440 3.991441 3.991441 3.991441 1.136944 9 O 2.979440 3.991441 1.136944 3.991441 3.991441 6 7 8 9 6 O 0.000000 7 O 4.865406 0.000000 8 O 4.865406 4.865406 0.000000 9 O 4.865406 4.865406 4.865406 0.000000 Stoichiometry C4NiO4 Framework group TD[O(Ni),4C3(.CO)] Deg. of freedom 2 Full point group TD NOp 24 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 2 6 0 1.063766 1.063766 1.063766 3 6 0 -1.063766 -1.063766 1.063766 4 6 0 -1.063766 1.063766 -1.063766 5 6 0 1.063766 -1.063766 -1.063766 6 8 0 1.720181 1.720181 1.720181 7 8 0 -1.720181 1.720181 -1.720181 8 8 0 1.720181 -1.720181 -1.720181 9 8 0 -1.720181 -1.720181 1.720181 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0371689 1.0371689 1.0371689 Standard basis: TZVP (5D, 7F) There are 50 symmetry adapted basis functions of A symmetry. There are 45 symmetry adapted basis functions of B1 symmetry. There are 45 symmetry adapted basis functions of B2 symmetry. There are 45 symmetry adapted basis functions of B3 symmetry. Integral buffers will be 262144 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 185 basis functions, 366 primitive gaussians, 196 cartesian basis functions 42 alpha electrons 42 beta electrons nuclear repulsion energy 597.6247368990 Hartrees. NAtoms= 9 NActive= 9 NUniq= 3 SFac= 3.00D+00 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 185 RedAO= T NBF= 50 45 45 45 NBsUse= 185 1.00D-06 NBFU= 50 45 45 45 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 4.68D-02 ExpMax= 3.52D+05 ExpMxC= 3.39D+03 IAcc=2 IRadAn= 0 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. EnCoef did 3 forward-backward iterations EnCoef did 2 forward-backward iterations SCF Done: E(RB3LYP) = -1961.94219971 A.U. after 11 cycles Convg = 0.2129D-08 -V/T = 2.0020 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 28 0.000000000 0.000000000 0.000000000 2 6 0.000382701 0.000541207 -0.000937404 3 6 0.000382681 -0.001082426 -0.000000001 4 6 0.000382699 0.000541205 0.000937405 5 6 -0.001148081 0.000000013 -0.000000001 6 8 -0.000177044 -0.000250372 0.000433660 7 8 -0.000177044 -0.000250371 -0.000433661 8 8 0.000531123 -0.000000006 0.000000000 9 8 -0.000177035 0.000500750 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.001148081 RMS 0.000486892 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000616958 RMS 0.000319309 Search for a local minimum. Step number 3 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 1 2 3 DE= -9.52D-04 DEPred=-1.05D-03 R= 9.07D-01 SS= 1.41D+00 RLast= 1.14D-01 DXNew= 8.4853D-01 3.4129D-01 Trust test= 9.07D-01 RLast= 1.14D-01 DXMaxT set to 5.05D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.05456 0.05456 0.05456 0.05456 0.05456 Eigenvalues --- 0.05456 0.05456 0.05456 0.10148 0.11009 Eigenvalues --- 0.14626 0.14988 0.17308 0.17308 0.17308 Eigenvalues --- 0.25000 0.25000 1.51688 1.62060 1.62060 Eigenvalues --- 1.620601000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 RFO step: Lambda=-2.10680678D-07 EMin= 5.45649278D-02 Quartic linear search produced a step of -0.06913. Iteration 1 RMS(Cart)= 0.00213577 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 ClnCor: largest displacement from symmetrization is 7.53D-09 for atom 8. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.48181 0.00062 0.00387 0.00024 0.00411 3.48592 R2 3.48181 0.00062 0.00387 0.00024 0.00411 3.48592 R3 3.48181 0.00062 0.00387 0.00024 0.00411 3.48592 R4 3.48181 0.00062 0.00387 0.00024 0.00411 3.48592 R5 2.14851 -0.00053 -0.00069 0.00016 -0.00053 2.14798 R6 2.14851 -0.00053 -0.00069 0.00016 -0.00053 2.14798 R7 2.14851 -0.00053 -0.00069 0.00016 -0.00053 2.14798 R8 2.14851 -0.00053 -0.00069 0.00016 -0.00053 2.14798 A1 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A2 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A3 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A4 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A5 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A6 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A7 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A8 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A9 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A10 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A11 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A12 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A13 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A14 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 D1 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D2 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 D3 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D4 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 Item Value Threshold Converged? Maximum Force 0.000617 0.000450 NO RMS Force 0.000319 0.000300 NO Maximum Displacement 0.004108 0.001800 NO RMS Displacement 0.002136 0.001200 NO Predicted change in Energy=-5.959159D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 -0.786517 -0.355804 0.000000 2 6 0 -0.171616 0.513776 -1.506166 3 6 0 -0.171647 -2.094983 -0.000002 4 6 0 -0.171618 0.513773 1.506168 5 6 0 -2.631187 -0.355783 -0.000001 6 8 0 0.207279 1.049600 -2.434245 7 8 0 0.207275 1.049595 2.434249 8 8 0 -3.767849 -0.355769 -0.000002 9 8 0 0.207227 -3.166643 -0.000003 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Ni 0.000000 2 C 1.844670 0.000000 3 C 1.844670 3.012334 0.000000 4 C 1.844670 3.012334 3.012334 0.000000 5 C 1.844670 3.012334 3.012334 3.012334 0.000000 6 O 2.981332 1.136662 3.994688 3.994688 3.994688 7 O 2.981332 3.994688 3.994688 1.136662 3.994688 8 O 2.981332 3.994688 3.994688 3.994688 1.136662 9 O 2.981332 3.994688 1.136662 3.994688 3.994688 6 7 8 9 6 O 0.000000 7 O 4.868495 0.000000 8 O 4.868495 4.868495 0.000000 9 O 4.868495 4.868495 4.868495 0.000000 Stoichiometry C4NiO4 Framework group TD[O(Ni),4C3(.CO)] Deg. of freedom 2 Full point group TD NOp 24 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 2 6 0 1.065021 1.065021 1.065021 3 6 0 -1.065021 -1.065021 1.065021 4 6 0 -1.065021 1.065021 -1.065021 5 6 0 1.065021 -1.065021 -1.065021 6 8 0 1.721273 1.721273 1.721273 7 8 0 -1.721273 1.721273 -1.721273 8 8 0 1.721273 -1.721273 -1.721273 9 8 0 -1.721273 -1.721273 1.721273 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0356017 1.0356017 1.0356017 Standard basis: TZVP (5D, 7F) There are 50 symmetry adapted basis functions of A symmetry. There are 45 symmetry adapted basis functions of B1 symmetry. There are 45 symmetry adapted basis functions of B2 symmetry. There are 45 symmetry adapted basis functions of B3 symmetry. Integral buffers will be 262144 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 185 basis functions, 366 primitive gaussians, 196 cartesian basis functions 42 alpha electrons 42 beta electrons nuclear repulsion energy 597.1851749752 Hartrees. NAtoms= 9 NActive= 9 NUniq= 3 SFac= 3.00D+00 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 185 RedAO= T NBF= 50 45 45 45 NBsUse= 185 1.00D-06 NBFU= 50 45 45 45 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. EnCoef did 1 forward-backward iterations SCF Done: E(RB3LYP) = -1961.94220531 A.U. after 9 cycles Convg = 0.4211D-08 -V/T = 2.0021 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 28 0.000000000 0.000000000 0.000000000 2 6 -0.000010828 -0.000015312 0.000026521 3 6 -0.000010827 0.000030624 0.000000000 4 6 -0.000010827 -0.000015312 -0.000026521 5 6 0.000032482 0.000000000 0.000000000 6 8 0.000011643 0.000016466 -0.000028520 7 8 0.000011643 0.000016466 0.000028520 8 8 -0.000034930 0.000000000 0.000000000 9 8 0.000011643 -0.000032932 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000034930 RMS 0.000018359 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000034930 RMS 0.000013734 Search for a local minimum. Step number 4 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 DE= -5.61D-06 DEPred=-5.96D-06 R= 9.41D-01 SS= 1.41D+00 RLast= 8.28D-03 DXNew= 8.4853D-01 2.4852D-02 Trust test= 9.41D-01 RLast= 8.28D-03 DXMaxT set to 5.05D-01 Eigenvalues --- 0.05456 0.05456 0.05456 0.05456 0.05456 Eigenvalues --- 0.05456 0.05456 0.05456 0.10148 0.11009 Eigenvalues --- 0.14988 0.15488 0.17308 0.17308 0.17308 Eigenvalues --- 0.25000 0.25000 1.54325 1.62060 1.62060 Eigenvalues --- 1.620601000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 4 3 RFO step: Lambda= 0.00000000D+00. DIIS coeffs: 0.99697 0.00303 Iteration 1 RMS(Cart)= 0.00001172 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 ClnCor: largest displacement from symmetrization is 5.65D-09 for atom 9. Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 3.48592 0.00000 -0.00001 0.00002 0.00001 3.48593 R2 3.48592 0.00000 -0.00001 0.00002 0.00001 3.48593 R3 3.48592 0.00000 -0.00001 0.00002 0.00001 3.48593 R4 3.48592 0.00000 -0.00001 0.00002 0.00001 3.48593 R5 2.14798 0.00003 0.00000 0.00002 0.00002 2.14800 R6 2.14798 0.00003 0.00000 0.00002 0.00002 2.14800 R7 2.14798 0.00003 0.00000 0.00002 0.00002 2.14800 R8 2.14798 0.00003 0.00000 0.00002 0.00002 2.14800 A1 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A2 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A3 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A4 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A5 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A6 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063 A7 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A8 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A9 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A10 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A11 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A12 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A13 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 A14 3.14159 0.00000 0.00000 0.00000 0.00000 3.14159 D1 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D2 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 D3 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440 D4 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440 Item Value Threshold Converged? Maximum Force 0.000035 0.000450 YES RMS Force 0.000014 0.000300 YES Maximum Displacement 0.000029 0.001800 YES RMS Displacement 0.000012 0.001200 YES Predicted change in Energy=-1.598017D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.8447 -DE/DX = 0.0 ! ! R2 R(1,3) 1.8447 -DE/DX = 0.0 ! ! R3 R(1,4) 1.8447 -DE/DX = 0.0 ! ! R4 R(1,5) 1.8447 -DE/DX = 0.0 ! ! R5 R(2,6) 1.1367 -DE/DX = 0.0 ! ! R6 R(3,9) 1.1367 -DE/DX = 0.0 ! ! R7 R(4,7) 1.1367 -DE/DX = 0.0 ! ! R8 R(5,8) 1.1367 -DE/DX = 0.0 ! ! A1 A(2,1,3) 109.4712 -DE/DX = 0.0 ! ! A2 A(2,1,4) 109.4712 -DE/DX = 0.0 ! ! A3 A(2,1,5) 109.4712 -DE/DX = 0.0 ! ! A4 A(3,1,4) 109.4712 -DE/DX = 0.0 ! ! A5 A(3,1,5) 109.4712 -DE/DX = 0.0 ! ! A6 A(4,1,5) 109.4712 -DE/DX = 0.0 ! ! A7 L(1,2,6,3,-1) 180.0 -DE/DX = 0.0 ! ! A8 L(1,3,9,2,-1) 180.0 -DE/DX = 0.0 ! ! A9 L(1,4,7,3,-1) 180.0 -DE/DX = 0.0 ! ! A10 L(1,5,8,2,-1) 180.0 -DE/DX = 0.0 ! ! A11 L(1,2,6,3,-2) 180.0 -DE/DX = 0.0 ! ! A12 L(1,3,9,2,-2) 180.0 -DE/DX = 0.0 ! ! A13 L(1,4,7,3,-2) 180.0 -DE/DX = 0.0 ! ! A14 L(1,5,8,2,-2) 180.0 -DE/DX = 0.0 ! ! D1 D(2,1,4,3) -120.0 -DE/DX = 0.0 ! ! D2 D(2,1,5,3) 120.0 -DE/DX = 0.0 ! ! D3 D(2,1,5,4) -120.0 -DE/DX = 0.0 ! ! D4 D(3,1,5,4) 120.0 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 -0.786517 -0.355804 0.000000 2 6 0 -0.171616 0.513776 -1.506166 3 6 0 -0.171647 -2.094983 -0.000002 4 6 0 -0.171618 0.513773 1.506168 5 6 0 -2.631187 -0.355783 -0.000001 6 8 0 0.207279 1.049600 -2.434245 7 8 0 0.207275 1.049595 2.434249 8 8 0 -3.767849 -0.355769 -0.000002 9 8 0 0.207227 -3.166643 -0.000003 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Ni 0.000000 2 C 1.844670 0.000000 3 C 1.844670 3.012334 0.000000 4 C 1.844670 3.012334 3.012334 0.000000 5 C 1.844670 3.012334 3.012334 3.012334 0.000000 6 O 2.981332 1.136662 3.994688 3.994688 3.994688 7 O 2.981332 3.994688 3.994688 1.136662 3.994688 8 O 2.981332 3.994688 3.994688 3.994688 1.136662 9 O 2.981332 3.994688 1.136662 3.994688 3.994688 6 7 8 9 6 O 0.000000 7 O 4.868495 0.000000 8 O 4.868495 4.868495 0.000000 9 O 4.868495 4.868495 4.868495 0.000000 Stoichiometry C4NiO4 Framework group TD[O(Ni),4C3(.CO)] Deg. of freedom 2 Full point group TD NOp 24 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 2 6 0 1.065021 1.065021 1.065021 3 6 0 -1.065021 -1.065021 1.065021 4 6 0 -1.065021 1.065021 -1.065021 5 6 0 1.065021 -1.065021 -1.065021 6 8 0 1.721273 1.721273 1.721273 7 8 0 -1.721273 1.721273 -1.721273 8 8 0 1.721273 -1.721273 -1.721273 9 8 0 -1.721273 -1.721273 1.721273 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0356017 1.0356017 1.0356017 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) Virtual (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (E) (E) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (A1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (E) (E) (T2) (T2) (T2) (T1) (T1) (T1) (A1) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (E) (E) (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2) (T2) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -299.86869 -35.80915 -31.23233 -31.23233 -31.23233 Alpha occ. eigenvalues -- -19.23143 -19.23142 -19.23142 -19.23142 -10.31091 Alpha occ. eigenvalues -- -10.31090 -10.31090 -10.31090 -4.04400 -2.63175 Alpha occ. eigenvalues -- -2.63175 -2.63175 -1.16805 -1.16781 -1.16781 Alpha occ. eigenvalues -- -1.16781 -0.60416 -0.58495 -0.58495 -0.58495 Alpha occ. eigenvalues -- -0.50773 -0.48764 -0.48764 -0.48631 -0.48631 Alpha occ. eigenvalues -- -0.48631 -0.47874 -0.47874 -0.47874 -0.46370 Alpha occ. eigenvalues -- -0.46370 -0.46370 -0.31535 -0.31535 -0.27054 Alpha occ. eigenvalues -- -0.27054 -0.27054 Alpha virt. eigenvalues -- -0.05116 -0.05116 -0.05116 -0.04236 -0.04236 Alpha virt. eigenvalues -- -0.02245 -0.02245 -0.02245 0.02108 0.10641 Alpha virt. eigenvalues -- 0.10641 0.10641 0.19988 0.19988 0.19988 Alpha virt. eigenvalues -- 0.20613 0.21663 0.21663 0.28807 0.28807 Alpha virt. eigenvalues -- 0.28807 0.29782 0.31609 0.31609 0.31609 Alpha virt. eigenvalues -- 0.33143 0.38611 0.38611 0.38611 0.45144 Alpha virt. eigenvalues -- 0.47537 0.47537 0.47537 0.52084 0.52084 Alpha virt. eigenvalues -- 0.54535 0.54535 0.54535 0.62338 0.62338 Alpha virt. eigenvalues -- 0.62338 0.66654 0.66654 0.66654 0.81525 Alpha virt. eigenvalues -- 0.81525 0.81525 0.81744 0.86760 0.90368 Alpha virt. eigenvalues -- 0.90368 1.30201 1.30201 1.30201 1.38466 Alpha virt. eigenvalues -- 1.38466 1.38466 1.38483 1.38483 1.38483 Alpha virt. eigenvalues -- 1.41588 1.41588 1.42391 1.42391 1.42391 Alpha virt. eigenvalues -- 1.43197 1.59828 1.59828 1.59828 1.60276 Alpha virt. eigenvalues -- 1.60276 1.60276 1.60596 1.60596 1.63613 Alpha virt. eigenvalues -- 1.63613 1.63613 1.74371 1.74371 1.74371 Alpha virt. eigenvalues -- 1.92791 1.92791 1.92791 1.95993 1.95993 Alpha virt. eigenvalues -- 2.03073 2.22957 2.22957 2.22957 2.31534 Alpha virt. eigenvalues -- 2.47645 2.47645 2.47645 2.56980 2.56980 Alpha virt. eigenvalues -- 2.56980 2.57007 2.57007 2.59167 2.59167 Alpha virt. eigenvalues -- 2.59167 2.59638 2.59638 2.60178 2.60178 Alpha virt. eigenvalues -- 2.60178 2.62275 2.62275 2.62275 2.80547 Alpha virt. eigenvalues -- 2.92791 2.92791 2.92791 3.10545 3.15077 Alpha virt. eigenvalues -- 3.15077 3.15077 3.22277 3.22277 3.22277 Alpha virt. eigenvalues -- 3.25793 3.25793 3.25793 3.28554 3.28554 Alpha virt. eigenvalues -- 3.61436 4.11943 4.11943 4.11943 4.20601 Alpha virt. eigenvalues -- 4.20601 4.37086 4.55324 4.55324 4.55324 Alpha virt. eigenvalues -- 21.91015 21.91015 21.91015 22.08155 43.34629 Alpha virt. eigenvalues -- 43.34629 43.34629 43.40314 Molecular Orbital Coefficients: 1 2 3 4 5 (A1)--O (A1)--O (T2)--O (T2)--O (T2)--O Eigenvalues -- -299.86869 -35.80915 -31.23233 -31.23233 -31.23233 1 1 Ni 1S 0.99768 -0.31770 0.00000 0.00000 0.00000 2 2S 0.00711 1.03727 0.00000 0.00000 0.00000 3 3S -0.00294 0.04508 0.00000 0.00000 0.00000 4 4S 0.00228 -0.01894 0.00000 0.00000 0.00000 5 5S -0.00222 0.01498 0.00000 0.00000 0.00000 6 6S -0.00038 0.00271 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.99047 0.00000 8 7PY 0.00000 0.00000 0.99047 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.99047 10 8PX 0.00000 0.00000 0.00000 0.02579 0.00000 11 8PY 0.00000 0.00000 0.02579 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.02579 13 9PX 0.00000 0.00000 0.00000 -0.00676 0.00000 14 9PY 0.00000 0.00000 -0.00676 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00676 16 10PX 0.00000 0.00000 0.00000 0.00386 0.00000 17 10PY 0.00000 0.00000 0.00386 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00386 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.00007 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 -0.00007 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 -0.00007 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 -0.00003 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 -0.00003 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 -0.00003 34 2 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 35 2S 0.00001 -0.00004 0.00002 0.00002 0.00002 36 3S -0.00004 0.00019 -0.00022 -0.00022 -0.00022 37 4S -0.00005 0.00034 0.00013 0.00013 0.00013 38 5S 0.00037 -0.00262 -0.00145 -0.00145 -0.00145 39 6PX 0.00000 0.00001 0.00009 0.00012 0.00009 40 6PY 0.00000 0.00001 0.00012 0.00009 0.00009 41 6PZ 0.00000 0.00001 0.00009 0.00009 0.00012 42 7PX -0.00016 0.00101 -0.00017 -0.00037 -0.00017 43 7PY -0.00016 0.00101 -0.00037 -0.00017 -0.00017 44 7PZ -0.00016 0.00101 -0.00017 -0.00017 -0.00037 45 8PX -0.00021 0.00141 0.00083 0.00058 0.00083 46 8PY -0.00021 0.00141 0.00058 0.00083 0.00083 47 8PZ -0.00021 0.00141 0.00083 0.00083 0.00058 48 9D 0 0.00000 0.00000 -0.00002 -0.00002 0.00004 49 9D+1 -0.00001 0.00011 0.00012 0.00011 0.00011 50 9D-1 -0.00001 0.00011 0.00011 0.00012 0.00011 51 9D+2 0.00000 0.00000 -0.00003 0.00003 0.00000 52 9D-2 -0.00001 0.00011 0.00011 0.00011 0.00012 53 3 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 54 2S 0.00001 -0.00004 -0.00002 -0.00002 0.00002 55 3S -0.00004 0.00019 0.00022 0.00022 -0.00022 56 4S -0.00005 0.00034 -0.00013 -0.00013 0.00013 57 5S 0.00037 -0.00262 0.00145 0.00145 -0.00145 58 6PX 0.00000 -0.00001 0.00009 0.00012 -0.00009 59 6PY 0.00000 -0.00001 0.00012 0.00009 -0.00009 60 6PZ 0.00000 0.00001 -0.00009 -0.00009 0.00012 61 7PX 0.00016 -0.00101 -0.00017 -0.00037 0.00017 62 7PY 0.00016 -0.00101 -0.00037 -0.00017 0.00017 63 7PZ -0.00016 0.00101 0.00017 0.00017 -0.00037 64 8PX 0.00021 -0.00141 0.00083 0.00058 -0.00083 65 8PY 0.00021 -0.00141 0.00058 0.00083 -0.00083 66 8PZ -0.00021 0.00141 -0.00083 -0.00083 0.00058 67 9D 0 0.00000 0.00000 0.00002 0.00002 0.00004 68 9D+1 0.00001 -0.00011 0.00012 0.00011 -0.00011 69 9D-1 0.00001 -0.00011 0.00011 0.00012 -0.00011 70 9D+2 0.00000 0.00000 0.00003 -0.00003 0.00000 71 9D-2 -0.00001 0.00011 -0.00011 -0.00011 0.00012 72 4 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 73 2S 0.00001 -0.00004 0.00002 -0.00002 -0.00002 74 3S -0.00004 0.00019 -0.00022 0.00022 0.00022 75 4S -0.00005 0.00034 0.00013 -0.00013 -0.00013 76 5S 0.00037 -0.00262 -0.00145 0.00145 0.00145 77 6PX 0.00000 -0.00001 -0.00009 0.00012 0.00009 78 6PY 0.00000 0.00001 0.00012 -0.00009 -0.00009 79 6PZ 0.00000 -0.00001 -0.00009 0.00009 0.00012 80 7PX 0.00016 -0.00101 0.00017 -0.00037 -0.00017 81 7PY -0.00016 0.00101 -0.00037 0.00017 0.00017 82 7PZ 0.00016 -0.00101 0.00017 -0.00017 -0.00037 83 8PX 0.00021 -0.00141 -0.00083 0.00058 0.00083 84 8PY -0.00021 0.00141 0.00058 -0.00083 -0.00083 85 8PZ 0.00021 -0.00141 -0.00083 0.00083 0.00058 86 9D 0 0.00000 0.00000 -0.00002 0.00002 -0.00004 87 9D+1 -0.00001 0.00011 0.00012 -0.00011 -0.00011 88 9D-1 0.00001 -0.00011 -0.00011 0.00012 0.00011 89 9D+2 0.00000 0.00000 -0.00003 -0.00003 0.00000 90 9D-2 0.00001 -0.00011 -0.00011 0.00011 0.00012 91 5 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 92 2S 0.00001 -0.00004 -0.00002 0.00002 -0.00002 93 3S -0.00004 0.00019 0.00022 -0.00022 0.00022 94 4S -0.00005 0.00034 -0.00013 0.00013 -0.00013 95 5S 0.00037 -0.00262 0.00145 -0.00145 0.00145 96 6PX 0.00000 0.00001 -0.00009 0.00012 -0.00009 97 6PY 0.00000 -0.00001 0.00012 -0.00009 0.00009 98 6PZ 0.00000 -0.00001 0.00009 -0.00009 0.00012 99 7PX -0.00016 0.00101 0.00017 -0.00037 0.00017 100 7PY 0.00016 -0.00101 -0.00037 0.00017 -0.00017 101 7PZ 0.00016 -0.00101 -0.00017 0.00017 -0.00037 102 8PX -0.00021 0.00141 -0.00083 0.00058 -0.00083 103 8PY 0.00021 -0.00141 0.00058 -0.00083 0.00083 104 8PZ 0.00021 -0.00141 0.00083 -0.00083 0.00058 105 9D 0 0.00000 0.00000 0.00002 -0.00002 -0.00004 106 9D+1 0.00001 -0.00011 0.00012 -0.00011 0.00011 107 9D-1 -0.00001 0.00011 -0.00011 0.00012 -0.00011 108 9D+2 0.00000 0.00000 0.00003 0.00003 0.00000 109 9D-2 0.00001 -0.00011 0.00011 -0.00011 0.00012 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00001 0.00002 0.00002 0.00002 112 3S -0.00003 0.00017 -0.00009 -0.00009 -0.00009 113 4S 0.00011 -0.00070 0.00012 0.00012 0.00012 114 5S 0.00025 -0.00161 -0.00012 -0.00012 -0.00012 115 6PX 0.00001 -0.00006 0.00002 0.00002 0.00002 116 6PY 0.00001 -0.00006 0.00002 0.00002 0.00002 117 6PZ 0.00001 -0.00006 0.00002 0.00002 0.00002 118 7PX -0.00007 0.00046 0.00003 -0.00001 0.00003 119 7PY -0.00007 0.00046 -0.00001 0.00003 0.00003 120 7PZ -0.00007 0.00046 0.00003 0.00003 -0.00001 121 8PX 0.00001 -0.00012 -0.00027 -0.00004 -0.00027 122 8PY 0.00001 -0.00012 -0.00004 -0.00027 -0.00027 123 8PZ 0.00001 -0.00012 -0.00027 -0.00027 -0.00004 124 9D 0 0.00000 0.00000 0.00001 0.00001 -0.00001 125 9D+1 0.00001 -0.00007 -0.00001 -0.00002 -0.00002 126 9D-1 0.00001 -0.00007 -0.00002 -0.00001 -0.00002 127 9D+2 0.00000 0.00000 0.00001 -0.00001 0.00000 128 9D-2 0.00001 -0.00007 -0.00002 -0.00002 -0.00001 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00001 0.00002 -0.00002 -0.00002 131 3S -0.00003 0.00017 -0.00009 0.00009 0.00009 132 4S 0.00011 -0.00070 0.00012 -0.00012 -0.00012 133 5S 0.00025 -0.00161 -0.00012 0.00012 0.00012 134 6PX -0.00001 0.00006 -0.00002 0.00002 0.00002 135 6PY 0.00001 -0.00006 0.00002 -0.00002 -0.00002 136 6PZ -0.00001 0.00006 -0.00002 0.00002 0.00002 137 7PX 0.00007 -0.00046 -0.00003 -0.00001 0.00003 138 7PY -0.00007 0.00046 -0.00001 -0.00003 -0.00003 139 7PZ 0.00007 -0.00046 -0.00003 0.00003 -0.00001 140 8PX -0.00001 0.00012 0.00027 -0.00004 -0.00027 141 8PY 0.00001 -0.00012 -0.00004 0.00027 0.00027 142 8PZ -0.00001 0.00012 0.00027 -0.00027 -0.00004 143 9D 0 0.00000 0.00000 0.00001 -0.00001 0.00001 144 9D+1 0.00001 -0.00007 -0.00001 0.00002 0.00002 145 9D-1 -0.00001 0.00007 0.00002 -0.00001 -0.00002 146 9D+2 0.00000 0.00000 0.00001 0.00001 0.00000 147 9D-2 -0.00001 0.00007 0.00002 -0.00002 -0.00001 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00002 0.00002 -0.00002 150 3S -0.00003 0.00017 0.00009 -0.00009 0.00009 151 4S 0.00011 -0.00070 -0.00012 0.00012 -0.00012 152 5S 0.00025 -0.00161 0.00012 -0.00012 0.00012 153 6PX 0.00001 -0.00006 -0.00002 0.00002 -0.00002 154 6PY -0.00001 0.00006 0.00002 -0.00002 0.00002 155 6PZ -0.00001 0.00006 0.00002 -0.00002 0.00002 156 7PX -0.00007 0.00046 -0.00003 -0.00001 -0.00003 157 7PY 0.00007 -0.00046 -0.00001 -0.00003 0.00003 158 7PZ 0.00007 -0.00046 0.00003 -0.00003 -0.00001 159 8PX 0.00001 -0.00012 0.00027 -0.00004 0.00027 160 8PY -0.00001 0.00012 -0.00004 0.00027 -0.00027 161 8PZ -0.00001 0.00012 -0.00027 0.00027 -0.00004 162 9D 0 0.00000 0.00000 -0.00001 0.00001 0.00001 163 9D+1 -0.00001 0.00007 -0.00001 0.00002 -0.00002 164 9D-1 0.00001 -0.00007 0.00002 -0.00001 0.00002 165 9D+2 0.00000 0.00000 -0.00001 -0.00001 0.00000 166 9D-2 -0.00001 0.00007 -0.00002 0.00002 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 -0.00001 -0.00002 -0.00002 0.00002 169 3S -0.00003 0.00017 0.00009 0.00009 -0.00009 170 4S 0.00011 -0.00070 -0.00012 -0.00012 0.00012 171 5S 0.00025 -0.00161 0.00012 0.00012 -0.00012 172 6PX -0.00001 0.00006 0.00002 0.00002 -0.00002 173 6PY -0.00001 0.00006 0.00002 0.00002 -0.00002 174 6PZ 0.00001 -0.00006 -0.00002 -0.00002 0.00002 175 7PX 0.00007 -0.00046 0.00003 -0.00001 -0.00003 176 7PY 0.00007 -0.00046 -0.00001 0.00003 -0.00003 177 7PZ -0.00007 0.00046 -0.00003 -0.00003 -0.00001 178 8PX -0.00001 0.00012 -0.00027 -0.00004 0.00027 179 8PY -0.00001 0.00012 -0.00004 -0.00027 0.00027 180 8PZ 0.00001 -0.00012 0.00027 0.00027 -0.00004 181 9D 0 0.00000 0.00000 -0.00001 -0.00001 -0.00001 182 9D+1 -0.00001 0.00007 -0.00001 -0.00002 0.00002 183 9D-1 -0.00001 0.00007 -0.00002 -0.00001 0.00002 184 9D+2 0.00000 0.00000 -0.00001 0.00001 0.00000 185 9D-2 0.00001 -0.00007 0.00002 0.00002 -0.00001 6 7 8 9 10 (A1)--O (T2)--O (T2)--O (T2)--O (A1)--O Eigenvalues -- -19.23143 -19.23142 -19.23142 -19.23142 -10.31091 1 1 Ni 1S 0.00001 0.00000 0.00000 0.00000 0.00001 2 2S 0.00003 0.00000 0.00000 0.00000 0.00003 3 3S 0.00012 0.00000 0.00000 0.00000 0.00018 4 4S -0.00045 0.00000 0.00000 0.00000 -0.00086 5 5S -0.00047 0.00000 0.00000 0.00000 0.00353 6 6S 0.00705 0.00000 0.00000 0.00000 -0.01209 7 7PX 0.00000 0.00000 0.00000 0.00002 0.00000 8 7PY 0.00000 0.00002 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.00009 0.00000 11 8PY 0.00000 -0.00009 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 -0.00009 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00013 0.00000 14 9PY 0.00000 0.00013 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00013 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00105 0.00000 17 10PY 0.00000 0.00105 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00105 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00004 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00004 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00004 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.00018 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 -0.00018 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.00018 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00094 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00094 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00094 0.00000 0.00000 34 2 C 1S 0.00000 0.00001 0.00001 0.00001 0.23334 35 2S -0.00002 -0.00003 -0.00003 -0.00003 0.30440 36 3S 0.00062 0.00086 0.00086 0.00086 0.01933 37 4S -0.00084 -0.00198 -0.00198 -0.00198 -0.01436 38 5S -0.00630 -0.00225 -0.00225 -0.00225 0.00808 39 6PX 0.00013 0.00010 0.00010 0.00015 0.00077 40 6PY 0.00013 0.00015 0.00010 0.00010 0.00077 41 6PZ 0.00013 0.00010 0.00015 0.00010 0.00077 42 7PX 0.00046 0.00061 0.00061 0.00038 0.00131 43 7PY 0.00046 0.00038 0.00061 0.00061 0.00131 44 7PZ 0.00046 0.00061 0.00038 0.00061 0.00131 45 8PX -0.00137 -0.00146 -0.00146 -0.00154 -0.00087 46 8PY -0.00137 -0.00154 -0.00146 -0.00146 -0.00087 47 8PZ -0.00137 -0.00146 -0.00154 -0.00146 -0.00087 48 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 49 9D+1 0.00004 -0.00003 -0.00001 -0.00001 0.00066 50 9D-1 0.00004 -0.00001 -0.00001 -0.00003 0.00066 51 9D+2 0.00000 0.00001 0.00000 -0.00001 0.00000 52 9D-2 0.00004 -0.00001 -0.00003 -0.00001 0.00066 53 3 C 1S 0.00000 -0.00001 0.00001 -0.00001 0.23334 54 2S -0.00002 0.00003 -0.00003 0.00003 0.30440 55 3S 0.00062 -0.00086 0.00086 -0.00086 0.01933 56 4S -0.00084 0.00198 -0.00198 0.00198 -0.01436 57 5S -0.00630 0.00225 -0.00225 0.00225 0.00808 58 6PX -0.00013 0.00010 -0.00010 0.00015 -0.00077 59 6PY -0.00013 0.00015 -0.00010 0.00010 -0.00077 60 6PZ 0.00013 -0.00010 0.00015 -0.00010 0.00077 61 7PX -0.00046 0.00061 -0.00061 0.00038 -0.00131 62 7PY -0.00046 0.00038 -0.00061 0.00061 -0.00131 63 7PZ 0.00046 -0.00061 0.00038 -0.00061 0.00131 64 8PX 0.00137 -0.00146 0.00146 -0.00154 0.00087 65 8PY 0.00137 -0.00154 0.00146 -0.00146 0.00087 66 8PZ -0.00137 0.00146 -0.00154 0.00146 -0.00087 67 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 68 9D+1 -0.00004 -0.00003 0.00001 -0.00001 -0.00066 69 9D-1 -0.00004 -0.00001 0.00001 -0.00003 -0.00066 70 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00000 71 9D-2 0.00004 0.00001 -0.00003 0.00001 0.00066 72 4 C 1S 0.00000 0.00001 -0.00001 -0.00001 0.23334 73 2S -0.00002 -0.00003 0.00003 0.00003 0.30440 74 3S 0.00062 0.00086 -0.00086 -0.00086 0.01933 75 4S -0.00084 -0.00198 0.00198 0.00198 -0.01436 76 5S -0.00630 -0.00225 0.00225 0.00225 0.00808 77 6PX -0.00013 -0.00010 0.00010 0.00015 -0.00077 78 6PY 0.00013 0.00015 -0.00010 -0.00010 0.00077 79 6PZ -0.00013 -0.00010 0.00015 0.00010 -0.00077 80 7PX -0.00046 -0.00061 0.00061 0.00038 -0.00131 81 7PY 0.00046 0.00038 -0.00061 -0.00061 0.00131 82 7PZ -0.00046 -0.00061 0.00038 0.00061 -0.00131 83 8PX 0.00137 0.00146 -0.00146 -0.00154 0.00087 84 8PY -0.00137 -0.00154 0.00146 0.00146 -0.00087 85 8PZ 0.00137 0.00146 -0.00154 -0.00146 0.00087 86 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 87 9D+1 0.00004 -0.00003 0.00001 0.00001 0.00066 88 9D-1 -0.00004 0.00001 -0.00001 -0.00003 -0.00066 89 9D+2 0.00000 0.00001 0.00000 0.00001 0.00000 90 9D-2 -0.00004 0.00001 -0.00003 -0.00001 -0.00066 91 5 C 1S 0.00000 -0.00001 -0.00001 0.00001 0.23334 92 2S -0.00002 0.00003 0.00003 -0.00003 0.30440 93 3S 0.00062 -0.00086 -0.00086 0.00086 0.01933 94 4S -0.00084 0.00198 0.00198 -0.00198 -0.01436 95 5S -0.00630 0.00225 0.00225 -0.00225 0.00808 96 6PX 0.00013 -0.00010 -0.00010 0.00015 0.00077 97 6PY -0.00013 0.00015 0.00010 -0.00010 -0.00077 98 6PZ -0.00013 0.00010 0.00015 -0.00010 -0.00077 99 7PX 0.00046 -0.00061 -0.00061 0.00038 0.00131 100 7PY -0.00046 0.00038 0.00061 -0.00061 -0.00131 101 7PZ -0.00046 0.00061 0.00038 -0.00061 -0.00131 102 8PX -0.00137 0.00146 0.00146 -0.00154 -0.00087 103 8PY 0.00137 -0.00154 -0.00146 0.00146 0.00087 104 8PZ 0.00137 -0.00146 -0.00154 0.00146 0.00087 105 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 106 9D+1 -0.00004 -0.00003 -0.00001 0.00001 -0.00066 107 9D-1 0.00004 0.00001 0.00001 -0.00003 0.00066 108 9D+2 0.00000 -0.00001 0.00000 -0.00001 0.00000 109 9D-2 -0.00004 -0.00001 -0.00003 0.00001 -0.00066 110 6 O 1S 0.21751 0.21751 0.21751 0.21751 -0.00008 111 2S 0.31983 0.31985 0.31985 0.31985 -0.00020 112 3S 0.01751 0.01736 0.01736 0.01736 0.00116 113 4S -0.01253 -0.01195 -0.01195 -0.01195 -0.00350 114 5S 0.00989 0.00868 0.00868 0.00868 0.00214 115 6PX -0.00050 -0.00050 -0.00050 -0.00051 -0.00013 116 6PY -0.00050 -0.00051 -0.00050 -0.00050 -0.00013 117 6PZ -0.00050 -0.00050 -0.00051 -0.00050 -0.00013 118 7PX 0.00066 0.00059 0.00059 0.00062 0.00129 119 7PY 0.00066 0.00062 0.00059 0.00059 0.00129 120 7PZ 0.00066 0.00059 0.00062 0.00059 0.00129 121 8PX -0.00103 -0.00088 -0.00088 -0.00083 -0.00083 122 8PY -0.00103 -0.00083 -0.00088 -0.00088 -0.00083 123 8PZ -0.00103 -0.00088 -0.00083 -0.00088 -0.00083 124 9D 0 0.00000 0.00001 -0.00001 0.00001 0.00000 125 9D+1 -0.00003 -0.00001 -0.00002 -0.00002 -0.00040 126 9D-1 -0.00003 -0.00002 -0.00002 -0.00001 -0.00040 127 9D+2 0.00000 0.00001 0.00000 -0.00001 0.00000 128 9D-2 -0.00003 -0.00002 -0.00001 -0.00002 -0.00040 129 7 O 1S 0.21751 0.21751 -0.21751 -0.21751 -0.00008 130 2S 0.31983 0.31985 -0.31985 -0.31985 -0.00020 131 3S 0.01751 0.01736 -0.01736 -0.01736 0.00116 132 4S -0.01253 -0.01195 0.01195 0.01195 -0.00350 133 5S 0.00989 0.00868 -0.00868 -0.00868 0.00214 134 6PX 0.00050 0.00050 -0.00050 -0.00051 0.00013 135 6PY -0.00050 -0.00051 0.00050 0.00050 -0.00013 136 6PZ 0.00050 0.00050 -0.00051 -0.00050 0.00013 137 7PX -0.00066 -0.00059 0.00059 0.00062 -0.00129 138 7PY 0.00066 0.00062 -0.00059 -0.00059 0.00129 139 7PZ -0.00066 -0.00059 0.00062 0.00059 -0.00129 140 8PX 0.00103 0.00088 -0.00088 -0.00083 0.00083 141 8PY -0.00103 -0.00083 0.00088 0.00088 -0.00083 142 8PZ 0.00103 0.00088 -0.00083 -0.00088 0.00083 143 9D 0 0.00000 0.00001 0.00001 -0.00001 0.00000 144 9D+1 -0.00003 -0.00001 0.00002 0.00002 -0.00040 145 9D-1 0.00003 0.00002 -0.00002 -0.00001 0.00040 146 9D+2 0.00000 0.00001 0.00000 0.00001 0.00000 147 9D-2 0.00003 0.00002 -0.00001 -0.00002 0.00040 148 8 O 1S 0.21751 -0.21751 -0.21751 0.21751 -0.00008 149 2S 0.31983 -0.31985 -0.31985 0.31985 -0.00020 150 3S 0.01751 -0.01736 -0.01736 0.01736 0.00116 151 4S -0.01253 0.01195 0.01195 -0.01195 -0.00350 152 5S 0.00989 -0.00868 -0.00868 0.00868 0.00214 153 6PX -0.00050 0.00050 0.00050 -0.00051 -0.00013 154 6PY 0.00050 -0.00051 -0.00050 0.00050 0.00013 155 6PZ 0.00050 -0.00050 -0.00051 0.00050 0.00013 156 7PX 0.00066 -0.00059 -0.00059 0.00062 0.00129 157 7PY -0.00066 0.00062 0.00059 -0.00059 -0.00129 158 7PZ -0.00066 0.00059 0.00062 -0.00059 -0.00129 159 8PX -0.00103 0.00088 0.00088 -0.00083 -0.00083 160 8PY 0.00103 -0.00083 -0.00088 0.00088 0.00083 161 8PZ 0.00103 -0.00088 -0.00083 0.00088 0.00083 162 9D 0 0.00000 -0.00001 0.00001 0.00001 0.00000 163 9D+1 0.00003 -0.00001 -0.00002 0.00002 0.00040 164 9D-1 -0.00003 0.00002 0.00002 -0.00001 -0.00040 165 9D+2 0.00000 -0.00001 0.00000 -0.00001 0.00000 166 9D-2 0.00003 -0.00002 -0.00001 0.00002 0.00040 167 9 O 1S 0.21751 -0.21751 0.21751 -0.21751 -0.00008 168 2S 0.31983 -0.31985 0.31985 -0.31985 -0.00020 169 3S 0.01751 -0.01736 0.01736 -0.01736 0.00116 170 4S -0.01253 0.01195 -0.01195 0.01195 -0.00350 171 5S 0.00989 -0.00868 0.00868 -0.00868 0.00214 172 6PX 0.00050 -0.00050 0.00050 -0.00051 0.00013 173 6PY 0.00050 -0.00051 0.00050 -0.00050 0.00013 174 6PZ -0.00050 0.00050 -0.00051 0.00050 -0.00013 175 7PX -0.00066 0.00059 -0.00059 0.00062 -0.00129 176 7PY -0.00066 0.00062 -0.00059 0.00059 -0.00129 177 7PZ 0.00066 -0.00059 0.00062 -0.00059 0.00129 178 8PX 0.00103 -0.00088 0.00088 -0.00083 0.00083 179 8PY 0.00103 -0.00083 0.00088 -0.00088 0.00083 180 8PZ -0.00103 0.00088 -0.00083 0.00088 -0.00083 181 9D 0 0.00000 -0.00001 -0.00001 -0.00001 0.00000 182 9D+1 0.00003 -0.00001 0.00002 -0.00002 0.00040 183 9D-1 0.00003 -0.00002 0.00002 -0.00001 0.00040 184 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00000 185 9D-2 -0.00003 0.00002 -0.00001 0.00002 -0.00040 11 12 13 14 15 (T2)--O (T2)--O (T2)--O (A1)--O (T2)--O Eigenvalues -- -10.31090 -10.31090 -10.31090 -4.04400 -2.63175 1 1 Ni 1S 0.00000 0.00000 0.00000 0.11912 0.00000 2 2S 0.00000 0.00000 0.00000 -0.46510 0.00000 3 3S 0.00000 0.00000 0.00000 0.63363 0.00000 4 4S 0.00000 0.00000 0.00000 0.46855 0.00000 5 5S 0.00000 0.00000 0.00000 0.04700 0.00000 6 6S 0.00000 0.00000 0.00000 0.01082 0.00000 7 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000 9 7PZ -0.00001 0.00000 0.00000 0.00000 -0.38165 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.87333 13 9PX 0.00000 0.00031 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00031 0.00000 0.00000 15 9PZ 0.00031 0.00000 0.00000 0.00000 0.25829 16 10PX 0.00000 -0.00002 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 -0.00002 0.00000 0.00000 18 10PZ -0.00002 0.00000 0.00000 0.00000 0.01946 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00077 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00021 0.00000 0.00000 26 12D-1 0.00000 0.00021 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00021 0.00000 0.00000 0.00000 0.00075 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00035 34 2 C 1S 0.23333 0.23333 0.23333 -0.00020 -0.00062 35 2S 0.30448 0.30448 0.30448 -0.00052 -0.00132 36 3S 0.01865 0.01865 0.01865 0.00037 0.00189 37 4S -0.01359 -0.01359 -0.01359 0.00197 0.00084 38 5S 0.00503 0.00503 0.00503 -0.01034 -0.00534 39 6PX 0.00085 0.00090 0.00085 -0.00022 -0.00129 40 6PY 0.00085 0.00085 0.00090 -0.00022 -0.00129 41 6PZ 0.00090 0.00085 0.00085 -0.00022 -0.00068 42 7PX 0.00060 0.00039 0.00060 0.00102 -0.00120 43 7PY 0.00060 0.00060 0.00039 0.00102 -0.00120 44 7PZ 0.00039 0.00060 0.00060 0.00102 -0.00111 45 8PX -0.00193 -0.00338 -0.00193 0.00389 0.00281 46 8PY -0.00193 -0.00193 -0.00338 0.00389 0.00281 47 8PZ -0.00338 -0.00193 -0.00193 0.00389 0.00179 48 9D 0 0.00005 -0.00003 -0.00003 0.00000 -0.00042 49 9D+1 0.00071 0.00071 0.00058 0.00075 0.00053 50 9D-1 0.00071 0.00058 0.00071 0.00075 0.00053 51 9D+2 0.00000 0.00004 -0.00004 0.00000 0.00000 52 9D-2 0.00058 0.00071 0.00071 0.00075 0.00094 53 3 C 1S 0.23333 -0.23333 -0.23333 -0.00020 -0.00062 54 2S 0.30448 -0.30448 -0.30448 -0.00052 -0.00132 55 3S 0.01865 -0.01865 -0.01865 0.00037 0.00189 56 4S -0.01359 0.01359 0.01359 0.00197 0.00084 57 5S 0.00503 -0.00503 -0.00503 -0.01034 -0.00534 58 6PX -0.00085 0.00090 0.00085 0.00022 0.00129 59 6PY -0.00085 0.00085 0.00090 0.00022 0.00129 60 6PZ 0.00090 -0.00085 -0.00085 -0.00022 -0.00068 61 7PX -0.00060 0.00039 0.00060 -0.00102 0.00120 62 7PY -0.00060 0.00060 0.00039 -0.00102 0.00120 63 7PZ 0.00039 -0.00060 -0.00060 0.00102 -0.00111 64 8PX 0.00193 -0.00338 -0.00193 -0.00389 -0.00281 65 8PY 0.00193 -0.00193 -0.00338 -0.00389 -0.00281 66 8PZ -0.00338 0.00193 0.00193 0.00389 0.00179 67 9D 0 0.00005 0.00003 0.00003 0.00000 -0.00042 68 9D+1 -0.00071 0.00071 0.00058 -0.00075 -0.00053 69 9D-1 -0.00071 0.00058 0.00071 -0.00075 -0.00053 70 9D+2 0.00000 -0.00004 0.00004 0.00000 0.00000 71 9D-2 0.00058 -0.00071 -0.00071 0.00075 0.00094 72 4 C 1S -0.23333 -0.23333 0.23333 -0.00020 0.00062 73 2S -0.30448 -0.30448 0.30448 -0.00052 0.00132 74 3S -0.01865 -0.01865 0.01865 0.00037 -0.00189 75 4S 0.01359 0.01359 -0.01359 0.00197 -0.00084 76 5S -0.00503 -0.00503 0.00503 -0.01034 0.00534 77 6PX 0.00085 0.00090 -0.00085 0.00022 -0.00129 78 6PY -0.00085 -0.00085 0.00090 -0.00022 0.00129 79 6PZ 0.00090 0.00085 -0.00085 0.00022 -0.00068 80 7PX 0.00060 0.00039 -0.00060 -0.00102 -0.00120 81 7PY -0.00060 -0.00060 0.00039 0.00102 0.00120 82 7PZ 0.00039 0.00060 -0.00060 -0.00102 -0.00111 83 8PX -0.00193 -0.00338 0.00193 -0.00389 0.00281 84 8PY 0.00193 0.00193 -0.00338 0.00389 -0.00281 85 8PZ -0.00338 -0.00193 0.00193 -0.00389 0.00179 86 9D 0 -0.00005 0.00003 -0.00003 0.00000 0.00042 87 9D+1 -0.00071 -0.00071 0.00058 0.00075 -0.00053 88 9D-1 0.00071 0.00058 -0.00071 -0.00075 0.00053 89 9D+2 0.00000 -0.00004 -0.00004 0.00000 0.00000 90 9D-2 0.00058 0.00071 -0.00071 -0.00075 0.00094 91 5 C 1S -0.23333 0.23333 -0.23333 -0.00020 0.00062 92 2S -0.30448 0.30448 -0.30448 -0.00052 0.00132 93 3S -0.01865 0.01865 -0.01865 0.00037 -0.00189 94 4S 0.01359 -0.01359 0.01359 0.00197 -0.00084 95 5S -0.00503 0.00503 -0.00503 -0.01034 0.00534 96 6PX -0.00085 0.00090 -0.00085 -0.00022 0.00129 97 6PY 0.00085 -0.00085 0.00090 0.00022 -0.00129 98 6PZ 0.00090 -0.00085 0.00085 0.00022 -0.00068 99 7PX -0.00060 0.00039 -0.00060 0.00102 0.00120 100 7PY 0.00060 -0.00060 0.00039 -0.00102 -0.00120 101 7PZ 0.00039 -0.00060 0.00060 -0.00102 -0.00111 102 8PX 0.00193 -0.00338 0.00193 0.00389 -0.00281 103 8PY -0.00193 0.00193 -0.00338 -0.00389 0.00281 104 8PZ -0.00338 0.00193 -0.00193 -0.00389 0.00179 105 9D 0 -0.00005 -0.00003 0.00003 0.00000 0.00042 106 9D+1 0.00071 -0.00071 0.00058 -0.00075 0.00053 107 9D-1 -0.00071 0.00058 -0.00071 0.00075 -0.00053 108 9D+2 0.00000 0.00004 0.00004 0.00000 0.00000 109 9D-2 0.00058 -0.00071 0.00071 -0.00075 0.00094 110 6 O 1S -0.00008 -0.00008 -0.00008 0.00000 0.00001 111 2S -0.00022 -0.00022 -0.00022 0.00001 0.00005 112 3S 0.00129 0.00129 0.00129 0.00027 -0.00021 113 4S -0.00394 -0.00394 -0.00394 -0.00160 0.00027 114 5S 0.00543 0.00543 0.00543 -0.00193 -0.00014 115 6PX -0.00011 -0.00007 -0.00011 -0.00003 0.00007 116 6PY -0.00011 -0.00011 -0.00007 -0.00003 0.00007 117 6PZ -0.00007 -0.00011 -0.00011 -0.00003 0.00004 118 7PX 0.00113 0.00095 0.00113 0.00092 0.00011 119 7PY 0.00113 0.00113 0.00095 0.00092 0.00011 120 7PZ 0.00095 0.00113 0.00113 0.00092 0.00010 121 8PX -0.00124 -0.00047 -0.00124 -0.00070 -0.00079 122 8PY -0.00124 -0.00124 -0.00047 -0.00070 -0.00079 123 8PZ -0.00047 -0.00124 -0.00124 -0.00070 -0.00028 124 9D 0 -0.00001 0.00000 0.00000 0.00000 -0.00009 125 9D+1 -0.00038 -0.00038 -0.00037 -0.00019 -0.00010 126 9D-1 -0.00038 -0.00037 -0.00038 -0.00019 -0.00010 127 9D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 128 9D-2 -0.00037 -0.00038 -0.00038 -0.00019 -0.00002 129 7 O 1S 0.00008 0.00008 -0.00008 0.00000 -0.00001 130 2S 0.00022 0.00022 -0.00022 0.00001 -0.00005 131 3S -0.00129 -0.00129 0.00129 0.00027 0.00021 132 4S 0.00394 0.00394 -0.00394 -0.00160 -0.00027 133 5S -0.00543 -0.00543 0.00543 -0.00193 0.00014 134 6PX -0.00011 -0.00007 0.00011 0.00003 0.00007 135 6PY 0.00011 0.00011 -0.00007 -0.00003 -0.00007 136 6PZ -0.00007 -0.00011 0.00011 0.00003 0.00004 137 7PX 0.00113 0.00095 -0.00113 -0.00092 0.00011 138 7PY -0.00113 -0.00113 0.00095 0.00092 -0.00011 139 7PZ 0.00095 0.00113 -0.00113 -0.00092 0.00010 140 8PX -0.00124 -0.00047 0.00124 0.00070 -0.00079 141 8PY 0.00124 0.00124 -0.00047 -0.00070 0.00079 142 8PZ -0.00047 -0.00124 0.00124 0.00070 -0.00028 143 9D 0 0.00001 0.00000 0.00000 0.00000 0.00009 144 9D+1 0.00038 0.00038 -0.00037 -0.00019 0.00010 145 9D-1 -0.00038 -0.00037 0.00038 0.00019 -0.00010 146 9D+2 0.00000 0.00001 0.00001 0.00000 0.00000 147 9D-2 -0.00037 -0.00038 0.00038 0.00019 -0.00002 148 8 O 1S 0.00008 -0.00008 0.00008 0.00000 -0.00001 149 2S 0.00022 -0.00022 0.00022 0.00001 -0.00005 150 3S -0.00129 0.00129 -0.00129 0.00027 0.00021 151 4S 0.00394 -0.00394 0.00394 -0.00160 -0.00027 152 5S -0.00543 0.00543 -0.00543 -0.00193 0.00014 153 6PX 0.00011 -0.00007 0.00011 -0.00003 -0.00007 154 6PY -0.00011 0.00011 -0.00007 0.00003 0.00007 155 6PZ -0.00007 0.00011 -0.00011 0.00003 0.00004 156 7PX -0.00113 0.00095 -0.00113 0.00092 -0.00011 157 7PY 0.00113 -0.00113 0.00095 -0.00092 0.00011 158 7PZ 0.00095 -0.00113 0.00113 -0.00092 0.00010 159 8PX 0.00124 -0.00047 0.00124 -0.00070 0.00079 160 8PY -0.00124 0.00124 -0.00047 0.00070 -0.00079 161 8PZ -0.00047 0.00124 -0.00124 0.00070 -0.00028 162 9D 0 0.00001 0.00000 0.00000 0.00000 0.00009 163 9D+1 -0.00038 0.00038 -0.00037 0.00019 -0.00010 164 9D-1 0.00038 -0.00037 0.00038 -0.00019 0.00010 165 9D+2 0.00000 -0.00001 -0.00001 0.00000 0.00000 166 9D-2 -0.00037 0.00038 -0.00038 0.00019 -0.00002 167 9 O 1S -0.00008 0.00008 0.00008 0.00000 0.00001 168 2S -0.00022 0.00022 0.00022 0.00001 0.00005 169 3S 0.00129 -0.00129 -0.00129 0.00027 -0.00021 170 4S -0.00394 0.00394 0.00394 -0.00160 0.00027 171 5S 0.00543 -0.00543 -0.00543 -0.00193 -0.00014 172 6PX 0.00011 -0.00007 -0.00011 0.00003 -0.00007 173 6PY 0.00011 -0.00011 -0.00007 0.00003 -0.00007 174 6PZ -0.00007 0.00011 0.00011 -0.00003 0.00004 175 7PX -0.00113 0.00095 0.00113 -0.00092 -0.00011 176 7PY -0.00113 0.00113 0.00095 -0.00092 -0.00011 177 7PZ 0.00095 -0.00113 -0.00113 0.00092 0.00010 178 8PX 0.00124 -0.00047 -0.00124 0.00070 0.00079 179 8PY 0.00124 -0.00124 -0.00047 0.00070 0.00079 180 8PZ -0.00047 0.00124 0.00124 -0.00070 -0.00028 181 9D 0 -0.00001 0.00000 0.00000 0.00000 -0.00009 182 9D+1 0.00038 -0.00038 -0.00037 0.00019 0.00010 183 9D-1 0.00038 -0.00037 -0.00038 0.00019 0.00010 184 9D+2 0.00000 0.00001 -0.00001 0.00000 0.00000 185 9D-2 -0.00037 0.00038 0.00038 -0.00019 -0.00002 16 17 18 19 20 (T2)--O (T2)--O (A1)--O (T2)--O (T2)--O Eigenvalues -- -2.63175 -2.63175 -1.16805 -1.16781 -1.16781 1 1 Ni 1S 0.00000 0.00000 -0.00078 0.00000 0.00000 2 2S 0.00000 0.00000 0.00192 0.00000 0.00000 3 3S 0.00000 0.00000 -0.00665 0.00000 0.00000 4 4S 0.00000 0.00000 0.00154 0.00000 0.00000 5 5S 0.00000 0.00000 -0.00870 0.00000 0.00000 6 6S 0.00000 0.00000 -0.00500 0.00000 0.00000 7 7PX -0.38165 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 -0.38165 0.00000 0.00000 0.00183 9 7PZ 0.00000 0.00000 0.00000 0.00183 0.00000 10 8PX 0.87333 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.87333 0.00000 0.00000 -0.00462 12 8PZ 0.00000 0.00000 0.00000 -0.00462 0.00000 13 9PX 0.25829 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.25829 0.00000 0.00000 0.00055 15 9PZ 0.00000 0.00000 0.00000 0.00055 0.00000 16 10PX 0.01946 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.01946 0.00000 0.00000 -0.02004 18 10PZ 0.00000 0.00000 0.00000 -0.02004 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00077 0.00000 0.00000 0.00132 21 11D-1 0.00077 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00132 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00075 0.00000 0.00000 0.00303 26 12D-1 0.00075 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00303 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00035 0.00000 0.00000 -0.00916 31 13D-1 0.00035 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.00916 0.00000 34 2 C 1S -0.00062 -0.00062 -0.02855 -0.02844 -0.02844 35 2S -0.00132 -0.00132 -0.05927 -0.05907 -0.05907 36 3S 0.00189 0.00189 0.09868 0.09791 0.09791 37 4S 0.00084 0.00084 0.04842 0.04969 0.04969 38 5S -0.00534 -0.00534 0.00686 0.00842 0.00842 39 6PX -0.00068 -0.00129 0.04909 0.04946 0.04946 40 6PY -0.00129 -0.00068 0.04909 0.04946 0.04941 41 6PZ -0.00129 -0.00129 0.04909 0.04941 0.04946 42 7PX -0.00111 -0.00120 0.01198 0.00905 0.00905 43 7PY -0.00120 -0.00111 0.01198 0.00905 0.01010 44 7PZ -0.00120 -0.00120 0.01198 0.01010 0.00905 45 8PX 0.00179 0.00281 -0.00062 -0.00365 -0.00365 46 8PY 0.00281 0.00179 -0.00062 -0.00365 -0.00305 47 8PZ 0.00281 0.00281 -0.00062 -0.00305 -0.00365 48 9D 0 0.00021 0.00021 0.00000 0.00006 -0.00003 49 9D+1 0.00053 0.00094 0.00842 0.00869 0.00874 50 9D-1 0.00094 0.00053 0.00842 0.00869 0.00869 51 9D+2 -0.00036 0.00036 0.00000 0.00000 -0.00005 52 9D-2 0.00053 0.00053 0.00842 0.00874 0.00869 53 3 C 1S 0.00062 0.00062 -0.02855 -0.02844 0.02844 54 2S 0.00132 0.00132 -0.05927 -0.05907 0.05907 55 3S -0.00189 -0.00189 0.09868 0.09791 -0.09791 56 4S -0.00084 -0.00084 0.04842 0.04969 -0.04969 57 5S 0.00534 0.00534 0.00686 0.00842 -0.00842 58 6PX -0.00068 -0.00129 -0.04909 -0.04946 0.04946 59 6PY -0.00129 -0.00068 -0.04909 -0.04946 0.04941 60 6PZ 0.00129 0.00129 0.04909 0.04941 -0.04946 61 7PX -0.00111 -0.00120 -0.01198 -0.00905 0.00905 62 7PY -0.00120 -0.00111 -0.01198 -0.00905 0.01010 63 7PZ 0.00120 0.00120 0.01198 0.01010 -0.00905 64 8PX 0.00179 0.00281 0.00062 0.00365 -0.00365 65 8PY 0.00281 0.00179 0.00062 0.00365 -0.00305 66 8PZ -0.00281 -0.00281 -0.00062 -0.00305 0.00365 67 9D 0 -0.00021 -0.00021 0.00000 0.00006 0.00003 68 9D+1 0.00053 0.00094 -0.00842 -0.00869 0.00874 69 9D-1 0.00094 0.00053 -0.00842 -0.00869 0.00869 70 9D+2 0.00036 -0.00036 0.00000 0.00000 0.00005 71 9D-2 -0.00053 -0.00053 0.00842 0.00874 -0.00869 72 4 C 1S 0.00062 -0.00062 -0.02855 0.02844 -0.02844 73 2S 0.00132 -0.00132 -0.05927 0.05907 -0.05907 74 3S -0.00189 0.00189 0.09868 -0.09791 0.09791 75 4S -0.00084 0.00084 0.04842 -0.04969 0.04969 76 5S 0.00534 -0.00534 0.00686 -0.00842 0.00842 77 6PX -0.00068 0.00129 -0.04909 0.04946 -0.04946 78 6PY 0.00129 -0.00068 0.04909 -0.04946 0.04941 79 6PZ -0.00129 0.00129 -0.04909 0.04941 -0.04946 80 7PX -0.00111 0.00120 -0.01198 0.00905 -0.00905 81 7PY 0.00120 -0.00111 0.01198 -0.00905 0.01010 82 7PZ -0.00120 0.00120 -0.01198 0.01010 -0.00905 83 8PX 0.00179 -0.00281 0.00062 -0.00365 0.00365 84 8PY -0.00281 0.00179 -0.00062 0.00365 -0.00305 85 8PZ 0.00281 -0.00281 0.00062 -0.00305 0.00365 86 9D 0 -0.00021 0.00021 0.00000 -0.00006 -0.00003 87 9D+1 -0.00053 0.00094 0.00842 -0.00869 0.00874 88 9D-1 0.00094 -0.00053 -0.00842 0.00869 -0.00869 89 9D+2 0.00036 0.00036 0.00000 0.00000 -0.00005 90 9D-2 0.00053 -0.00053 -0.00842 0.00874 -0.00869 91 5 C 1S -0.00062 0.00062 -0.02855 0.02844 0.02844 92 2S -0.00132 0.00132 -0.05927 0.05907 0.05907 93 3S 0.00189 -0.00189 0.09868 -0.09791 -0.09791 94 4S 0.00084 -0.00084 0.04842 -0.04969 -0.04969 95 5S -0.00534 0.00534 0.00686 -0.00842 -0.00842 96 6PX -0.00068 0.00129 0.04909 -0.04946 -0.04946 97 6PY 0.00129 -0.00068 -0.04909 0.04946 0.04941 98 6PZ 0.00129 -0.00129 -0.04909 0.04941 0.04946 99 7PX -0.00111 0.00120 0.01198 -0.00905 -0.00905 100 7PY 0.00120 -0.00111 -0.01198 0.00905 0.01010 101 7PZ 0.00120 -0.00120 -0.01198 0.01010 0.00905 102 8PX 0.00179 -0.00281 -0.00062 0.00365 0.00365 103 8PY -0.00281 0.00179 0.00062 -0.00365 -0.00305 104 8PZ -0.00281 0.00281 0.00062 -0.00305 -0.00365 105 9D 0 0.00021 -0.00021 0.00000 -0.00006 0.00003 106 9D+1 -0.00053 0.00094 -0.00842 0.00869 0.00874 107 9D-1 0.00094 -0.00053 0.00842 -0.00869 -0.00869 108 9D+2 -0.00036 -0.00036 0.00000 0.00000 0.00005 109 9D-2 -0.00053 0.00053 -0.00842 0.00874 0.00869 110 6 O 1S 0.00001 0.00001 -0.04622 -0.04627 -0.04627 111 2S 0.00005 0.00005 -0.10869 -0.10880 -0.10880 112 3S -0.00021 -0.00021 0.16074 0.16081 0.16081 113 4S 0.00027 0.00027 0.19873 0.19937 0.19937 114 5S -0.00014 -0.00014 0.05339 0.05801 0.05801 115 6PX 0.00004 0.00007 -0.04066 -0.04062 -0.04062 116 6PY 0.00007 0.00004 -0.04066 -0.04062 -0.04060 117 6PZ 0.00007 0.00007 -0.04066 -0.04060 -0.04062 118 7PX 0.00010 0.00011 -0.02720 -0.02769 -0.02769 119 7PY 0.00011 0.00010 -0.02720 -0.02769 -0.02772 120 7PZ 0.00011 0.00011 -0.02720 -0.02772 -0.02769 121 8PX -0.00028 -0.00079 -0.00153 -0.00155 -0.00155 122 8PY -0.00079 -0.00028 -0.00153 -0.00155 -0.00209 123 8PZ -0.00079 -0.00079 -0.00153 -0.00209 -0.00155 124 9D 0 0.00004 0.00004 0.00000 0.00003 -0.00002 125 9D+1 -0.00010 -0.00002 0.00505 0.00504 0.00501 126 9D-1 -0.00002 -0.00010 0.00505 0.00504 0.00504 127 9D+2 -0.00008 0.00008 0.00000 0.00000 -0.00003 128 9D-2 -0.00010 -0.00010 0.00505 0.00501 0.00504 129 7 O 1S -0.00001 0.00001 -0.04622 0.04627 -0.04627 130 2S -0.00005 0.00005 -0.10869 0.10880 -0.10880 131 3S 0.00021 -0.00021 0.16074 -0.16081 0.16081 132 4S -0.00027 0.00027 0.19873 -0.19937 0.19937 133 5S 0.00014 -0.00014 0.05339 -0.05801 0.05801 134 6PX 0.00004 -0.00007 0.04066 -0.04062 0.04062 135 6PY -0.00007 0.00004 -0.04066 0.04062 -0.04060 136 6PZ 0.00007 -0.00007 0.04066 -0.04060 0.04062 137 7PX 0.00010 -0.00011 0.02720 -0.02769 0.02769 138 7PY -0.00011 0.00010 -0.02720 0.02769 -0.02772 139 7PZ 0.00011 -0.00011 0.02720 -0.02772 0.02769 140 8PX -0.00028 0.00079 0.00153 -0.00155 0.00155 141 8PY 0.00079 -0.00028 -0.00153 0.00155 -0.00209 142 8PZ -0.00079 0.00079 0.00153 -0.00209 0.00155 143 9D 0 -0.00004 0.00004 0.00000 -0.00003 -0.00002 144 9D+1 0.00010 -0.00002 0.00505 -0.00504 0.00501 145 9D-1 -0.00002 0.00010 -0.00505 0.00504 -0.00504 146 9D+2 0.00008 0.00008 0.00000 0.00000 -0.00003 147 9D-2 -0.00010 0.00010 -0.00505 0.00501 -0.00504 148 8 O 1S 0.00001 -0.00001 -0.04622 0.04627 0.04627 149 2S 0.00005 -0.00005 -0.10869 0.10880 0.10880 150 3S -0.00021 0.00021 0.16074 -0.16081 -0.16081 151 4S 0.00027 -0.00027 0.19873 -0.19937 -0.19937 152 5S -0.00014 0.00014 0.05339 -0.05801 -0.05801 153 6PX 0.00004 -0.00007 -0.04066 0.04062 0.04062 154 6PY -0.00007 0.00004 0.04066 -0.04062 -0.04060 155 6PZ -0.00007 0.00007 0.04066 -0.04060 -0.04062 156 7PX 0.00010 -0.00011 -0.02720 0.02769 0.02769 157 7PY -0.00011 0.00010 0.02720 -0.02769 -0.02772 158 7PZ -0.00011 0.00011 0.02720 -0.02772 -0.02769 159 8PX -0.00028 0.00079 -0.00153 0.00155 0.00155 160 8PY 0.00079 -0.00028 0.00153 -0.00155 -0.00209 161 8PZ 0.00079 -0.00079 0.00153 -0.00209 -0.00155 162 9D 0 0.00004 -0.00004 0.00000 -0.00003 0.00002 163 9D+1 0.00010 -0.00002 -0.00505 0.00504 0.00501 164 9D-1 -0.00002 0.00010 0.00505 -0.00504 -0.00504 165 9D+2 -0.00008 -0.00008 0.00000 0.00000 0.00003 166 9D-2 0.00010 -0.00010 -0.00505 0.00501 0.00504 167 9 O 1S -0.00001 -0.00001 -0.04622 -0.04627 0.04627 168 2S -0.00005 -0.00005 -0.10869 -0.10880 0.10880 169 3S 0.00021 0.00021 0.16074 0.16081 -0.16081 170 4S -0.00027 -0.00027 0.19873 0.19937 -0.19937 171 5S 0.00014 0.00014 0.05339 0.05801 -0.05801 172 6PX 0.00004 0.00007 0.04066 0.04062 -0.04062 173 6PY 0.00007 0.00004 0.04066 0.04062 -0.04060 174 6PZ -0.00007 -0.00007 -0.04066 -0.04060 0.04062 175 7PX 0.00010 0.00011 0.02720 0.02769 -0.02769 176 7PY 0.00011 0.00010 0.02720 0.02769 -0.02772 177 7PZ -0.00011 -0.00011 -0.02720 -0.02772 0.02769 178 8PX -0.00028 -0.00079 0.00153 0.00155 -0.00155 179 8PY -0.00079 -0.00028 0.00153 0.00155 -0.00209 180 8PZ 0.00079 0.00079 -0.00153 -0.00209 0.00155 181 9D 0 -0.00004 -0.00004 0.00000 0.00003 0.00002 182 9D+1 -0.00010 -0.00002 -0.00505 -0.00504 0.00501 183 9D-1 -0.00002 -0.00010 -0.00505 -0.00504 0.00504 184 9D+2 0.00008 -0.00008 0.00000 0.00000 0.00003 185 9D-2 0.00010 0.00010 0.00505 0.00501 -0.00504 21 22 23 24 25 (T2)--O (A1)--O (T2)--O (T2)--O (T2)--O Eigenvalues -- -1.16781 -0.60416 -0.58495 -0.58495 -0.58495 1 1 Ni 1S 0.00000 -0.01288 0.00000 0.00000 0.00000 2 2S 0.00000 0.04105 0.00000 0.00000 0.00000 3 3S 0.00000 -0.09661 0.00000 0.00000 0.00000 4 4S 0.00000 -0.08169 0.00000 0.00000 0.00000 5 5S 0.00000 0.16260 0.00000 0.00000 0.00000 6 6S 0.00000 0.02616 0.00000 0.00000 0.00000 7 7PX 0.00183 0.00000 0.00000 0.00000 0.01885 8 7PY 0.00000 0.00000 0.00000 0.01885 0.00000 9 7PZ 0.00000 0.00000 0.01885 0.00000 0.00000 10 8PX -0.00462 0.00000 0.00000 0.00000 -0.05114 11 8PY 0.00000 0.00000 0.00000 -0.05114 0.00000 12 8PZ 0.00000 0.00000 -0.05114 0.00000 0.00000 13 9PX 0.00055 0.00000 0.00000 0.00000 -0.00269 14 9PY 0.00000 0.00000 0.00000 -0.00269 0.00000 15 9PZ 0.00000 0.00000 -0.00269 0.00000 0.00000 16 10PX -0.02004 0.00000 0.00000 0.00000 0.01933 17 10PY 0.00000 0.00000 0.00000 0.01933 0.00000 18 10PZ 0.00000 0.00000 0.01933 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.05899 0.00000 21 11D-1 0.00132 0.00000 0.00000 0.00000 0.05899 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.05899 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.04071 0.00000 26 12D-1 0.00303 0.00000 0.00000 0.00000 0.04071 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.04071 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.02457 0.00000 31 13D-1 -0.00916 0.00000 0.00000 0.00000 0.02457 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.02457 0.00000 0.00000 34 2 C 1S -0.02844 -0.04057 -0.03727 -0.03727 -0.03727 35 2S -0.05907 -0.08705 -0.08015 -0.08015 -0.08015 36 3S 0.09791 0.14718 0.14009 0.14009 0.14009 37 4S 0.04969 0.17959 0.15360 0.15360 0.15360 38 5S 0.00842 0.01674 0.02610 0.02610 0.02610 39 6PX 0.04941 -0.01092 0.01092 0.01092 0.01584 40 6PY 0.04946 -0.01092 0.01092 0.01584 0.01092 41 6PZ 0.04946 -0.01092 0.01584 0.01092 0.01092 42 7PX 0.01010 -0.01291 -0.00068 -0.00068 0.00357 43 7PY 0.00905 -0.01291 -0.00068 0.00357 -0.00068 44 7PZ 0.00905 -0.01291 0.00357 -0.00068 -0.00068 45 8PX -0.00305 -0.00153 -0.01029 -0.01029 -0.01212 46 8PY -0.00365 -0.00153 -0.01029 -0.01212 -0.01029 47 8PZ -0.00365 -0.00153 -0.01212 -0.01029 -0.01029 48 9D 0 -0.00003 0.00000 0.00028 -0.00014 -0.00014 49 9D+1 0.00869 0.00334 0.00439 0.00473 0.00439 50 9D-1 0.00874 0.00334 0.00439 0.00439 0.00473 51 9D+2 0.00005 0.00000 0.00000 -0.00024 0.00024 52 9D-2 0.00869 0.00334 0.00473 0.00439 0.00439 53 3 C 1S 0.02844 -0.04057 -0.03727 0.03727 0.03727 54 2S 0.05907 -0.08705 -0.08015 0.08015 0.08015 55 3S -0.09791 0.14718 0.14009 -0.14009 -0.14009 56 4S -0.04969 0.17959 0.15360 -0.15360 -0.15360 57 5S -0.00842 0.01674 0.02610 -0.02610 -0.02610 58 6PX 0.04941 0.01092 -0.01092 0.01092 0.01584 59 6PY 0.04946 0.01092 -0.01092 0.01584 0.01092 60 6PZ -0.04946 -0.01092 0.01584 -0.01092 -0.01092 61 7PX 0.01010 0.01291 0.00068 -0.00068 0.00357 62 7PY 0.00905 0.01291 0.00068 0.00357 -0.00068 63 7PZ -0.00905 -0.01291 0.00357 0.00068 0.00068 64 8PX -0.00305 0.00153 0.01029 -0.01029 -0.01212 65 8PY -0.00365 0.00153 0.01029 -0.01212 -0.01029 66 8PZ 0.00365 -0.00153 -0.01212 0.01029 0.01029 67 9D 0 0.00003 0.00000 0.00028 0.00014 0.00014 68 9D+1 0.00869 -0.00334 -0.00439 0.00473 0.00439 69 9D-1 0.00874 -0.00334 -0.00439 0.00439 0.00473 70 9D+2 -0.00005 0.00000 0.00000 0.00024 -0.00024 71 9D-2 -0.00869 0.00334 0.00473 -0.00439 -0.00439 72 4 C 1S 0.02844 -0.04057 0.03727 -0.03727 0.03727 73 2S 0.05907 -0.08705 0.08015 -0.08015 0.08015 74 3S -0.09791 0.14718 -0.14009 0.14009 -0.14009 75 4S -0.04969 0.17959 -0.15360 0.15360 -0.15360 76 5S -0.00842 0.01674 -0.02610 0.02610 -0.02610 77 6PX 0.04941 0.01092 0.01092 -0.01092 0.01584 78 6PY -0.04946 -0.01092 -0.01092 0.01584 -0.01092 79 6PZ 0.04946 0.01092 0.01584 -0.01092 0.01092 80 7PX 0.01010 0.01291 -0.00068 0.00068 0.00357 81 7PY -0.00905 -0.01291 0.00068 0.00357 0.00068 82 7PZ 0.00905 0.01291 0.00357 0.00068 -0.00068 83 8PX -0.00305 0.00153 -0.01029 0.01029 -0.01212 84 8PY 0.00365 -0.00153 0.01029 -0.01212 0.01029 85 8PZ -0.00365 0.00153 -0.01212 0.01029 -0.01029 86 9D 0 0.00003 0.00000 -0.00028 -0.00014 0.00014 87 9D+1 -0.00869 0.00334 -0.00439 0.00473 -0.00439 88 9D-1 0.00874 -0.00334 0.00439 -0.00439 0.00473 89 9D+2 -0.00005 0.00000 0.00000 -0.00024 -0.00024 90 9D-2 0.00869 -0.00334 0.00473 -0.00439 0.00439 91 5 C 1S -0.02844 -0.04057 0.03727 0.03727 -0.03727 92 2S -0.05907 -0.08705 0.08015 0.08015 -0.08015 93 3S 0.09791 0.14718 -0.14009 -0.14009 0.14009 94 4S 0.04969 0.17959 -0.15360 -0.15360 0.15360 95 5S 0.00842 0.01674 -0.02610 -0.02610 0.02610 96 6PX 0.04941 -0.01092 -0.01092 -0.01092 0.01584 97 6PY -0.04946 0.01092 0.01092 0.01584 -0.01092 98 6PZ -0.04946 0.01092 0.01584 0.01092 -0.01092 99 7PX 0.01010 -0.01291 0.00068 0.00068 0.00357 100 7PY -0.00905 0.01291 -0.00068 0.00357 0.00068 101 7PZ -0.00905 0.01291 0.00357 -0.00068 0.00068 102 8PX -0.00305 -0.00153 0.01029 0.01029 -0.01212 103 8PY 0.00365 0.00153 -0.01029 -0.01212 0.01029 104 8PZ 0.00365 0.00153 -0.01212 -0.01029 0.01029 105 9D 0 -0.00003 0.00000 -0.00028 0.00014 -0.00014 106 9D+1 -0.00869 -0.00334 0.00439 0.00473 -0.00439 107 9D-1 0.00874 0.00334 -0.00439 -0.00439 0.00473 108 9D+2 0.00005 0.00000 0.00000 0.00024 0.00024 109 9D-2 -0.00869 -0.00334 0.00473 0.00439 -0.00439 110 6 O 1S -0.04627 0.02481 0.02666 0.02666 0.02666 111 2S -0.10880 0.05905 0.06339 0.06339 0.06339 112 3S 0.16081 -0.09024 -0.09556 -0.09556 -0.09556 113 4S 0.19937 -0.13609 -0.15164 -0.15164 -0.15164 114 5S 0.05801 -0.10703 -0.11174 -0.11174 -0.11174 115 6PX -0.04060 -0.07355 -0.09771 -0.09771 -0.09330 116 6PY -0.04062 -0.07355 -0.09771 -0.09330 -0.09771 117 6PZ -0.04062 -0.07355 -0.09330 -0.09771 -0.09771 118 7PX -0.02772 -0.05091 -0.06851 -0.06851 -0.06530 119 7PY -0.02769 -0.05091 -0.06851 -0.06530 -0.06851 120 7PZ -0.02769 -0.05091 -0.06530 -0.06851 -0.06851 121 8PX -0.00209 -0.02251 -0.03019 -0.03019 -0.02746 122 8PY -0.00155 -0.02251 -0.03019 -0.02746 -0.03019 123 8PZ -0.00155 -0.02251 -0.02746 -0.03019 -0.03019 124 9D 0 -0.00002 0.00000 -0.00029 0.00014 0.00014 125 9D+1 0.00504 0.00389 0.00509 0.00534 0.00509 126 9D-1 0.00501 0.00389 0.00509 0.00509 0.00534 127 9D+2 0.00003 0.00000 0.00000 0.00025 -0.00025 128 9D-2 0.00504 0.00389 0.00534 0.00509 0.00509 129 7 O 1S 0.04627 0.02481 -0.02666 0.02666 -0.02666 130 2S 0.10880 0.05905 -0.06339 0.06339 -0.06339 131 3S -0.16081 -0.09024 0.09556 -0.09556 0.09556 132 4S -0.19937 -0.13609 0.15164 -0.15164 0.15164 133 5S -0.05801 -0.10703 0.11174 -0.11174 0.11174 134 6PX -0.04060 0.07355 -0.09771 0.09771 -0.09330 135 6PY 0.04062 -0.07355 0.09771 -0.09330 0.09771 136 6PZ -0.04062 0.07355 -0.09330 0.09771 -0.09771 137 7PX -0.02772 0.05091 -0.06851 0.06851 -0.06530 138 7PY 0.02769 -0.05091 0.06851 -0.06530 0.06851 139 7PZ -0.02769 0.05091 -0.06530 0.06851 -0.06851 140 8PX -0.00209 0.02251 -0.03019 0.03019 -0.02746 141 8PY 0.00155 -0.02251 0.03019 -0.02746 0.03019 142 8PZ -0.00155 0.02251 -0.02746 0.03019 -0.03019 143 9D 0 0.00002 0.00000 0.00029 0.00014 -0.00014 144 9D+1 -0.00504 0.00389 -0.00509 0.00534 -0.00509 145 9D-1 0.00501 -0.00389 0.00509 -0.00509 0.00534 146 9D+2 -0.00003 0.00000 0.00000 0.00025 0.00025 147 9D-2 0.00504 -0.00389 0.00534 -0.00509 0.00509 148 8 O 1S -0.04627 0.02481 -0.02666 -0.02666 0.02666 149 2S -0.10880 0.05905 -0.06339 -0.06339 0.06339 150 3S 0.16081 -0.09024 0.09556 0.09556 -0.09556 151 4S 0.19937 -0.13609 0.15164 0.15164 -0.15164 152 5S 0.05801 -0.10703 0.11174 0.11174 -0.11174 153 6PX -0.04060 -0.07355 0.09771 0.09771 -0.09330 154 6PY 0.04062 0.07355 -0.09771 -0.09330 0.09771 155 6PZ 0.04062 0.07355 -0.09330 -0.09771 0.09771 156 7PX -0.02772 -0.05091 0.06851 0.06851 -0.06530 157 7PY 0.02769 0.05091 -0.06851 -0.06530 0.06851 158 7PZ 0.02769 0.05091 -0.06530 -0.06851 0.06851 159 8PX -0.00209 -0.02251 0.03019 0.03019 -0.02746 160 8PY 0.00155 0.02251 -0.03019 -0.02746 0.03019 161 8PZ 0.00155 0.02251 -0.02746 -0.03019 0.03019 162 9D 0 -0.00002 0.00000 0.00029 -0.00014 0.00014 163 9D+1 -0.00504 -0.00389 0.00509 0.00534 -0.00509 164 9D-1 0.00501 0.00389 -0.00509 -0.00509 0.00534 165 9D+2 0.00003 0.00000 0.00000 -0.00025 -0.00025 166 9D-2 -0.00504 -0.00389 0.00534 0.00509 -0.00509 167 9 O 1S 0.04627 0.02481 0.02666 -0.02666 -0.02666 168 2S 0.10880 0.05905 0.06339 -0.06339 -0.06339 169 3S -0.16081 -0.09024 -0.09556 0.09556 0.09556 170 4S -0.19937 -0.13609 -0.15164 0.15164 0.15164 171 5S -0.05801 -0.10703 -0.11174 0.11174 0.11174 172 6PX -0.04060 0.07355 0.09771 -0.09771 -0.09330 173 6PY -0.04062 0.07355 0.09771 -0.09330 -0.09771 174 6PZ 0.04062 -0.07355 -0.09330 0.09771 0.09771 175 7PX -0.02772 0.05091 0.06851 -0.06851 -0.06530 176 7PY -0.02769 0.05091 0.06851 -0.06530 -0.06851 177 7PZ 0.02769 -0.05091 -0.06530 0.06851 0.06851 178 8PX -0.00209 0.02251 0.03019 -0.03019 -0.02746 179 8PY -0.00155 0.02251 0.03019 -0.02746 -0.03019 180 8PZ 0.00155 -0.02251 -0.02746 0.03019 0.03019 181 9D 0 0.00002 0.00000 -0.00029 -0.00014 -0.00014 182 9D+1 0.00504 -0.00389 -0.00509 0.00534 0.00509 183 9D-1 0.00501 -0.00389 -0.00509 0.00509 0.00534 184 9D+2 -0.00003 0.00000 0.00000 -0.00025 0.00025 185 9D-2 -0.00504 0.00389 0.00534 -0.00509 -0.00509 26 27 28 29 30 (A1)--O (E)--O (E)--O (T2)--O (T2)--O Eigenvalues -- -0.50773 -0.48764 -0.48764 -0.48631 -0.48631 1 1 Ni 1S -0.01704 0.00000 0.00000 0.00000 0.00000 2 2S 0.05539 0.00000 0.00000 0.00000 0.00000 3 3S -0.12644 0.00000 0.00000 0.00000 0.00000 4 4S -0.12351 0.00000 0.00000 0.00000 0.00000 5 5S 0.29206 0.00000 0.00000 0.00000 0.00000 6 6S 0.07252 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.01324 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.01324 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.03634 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.03634 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 -0.00089 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.00089 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.01047 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.01047 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 -0.02492 0.07749 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.02649 21 11D-1 0.00000 0.00000 0.00000 -0.02649 0.00000 22 11D+2 0.00000 0.07749 0.02492 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 -0.01593 0.04952 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.01562 26 12D-1 0.00000 0.00000 0.00000 -0.01562 0.00000 27 12D+2 0.00000 0.04952 0.01593 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 -0.01217 0.03784 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -0.01860 31 13D-1 0.00000 0.00000 0.00000 -0.01860 0.00000 32 13D+2 0.00000 0.03784 0.01217 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.01153 0.00000 0.00000 -0.00208 -0.00208 35 2S -0.02470 0.00000 0.00000 -0.00426 -0.00426 36 3S 0.02881 0.00000 0.00000 0.00278 0.00278 37 4S 0.09655 0.00000 0.00000 0.02288 0.02288 38 5S 0.01687 0.00000 0.00000 0.00430 0.00430 39 6PX -0.09226 0.10224 -0.02205 0.09146 -0.06333 40 6PY -0.09226 -0.07022 -0.07752 -0.06333 0.09146 41 6PZ -0.09226 -0.03202 0.09957 -0.06333 -0.06333 42 7PX -0.05645 0.07911 -0.01706 0.06766 -0.05280 43 7PY -0.05645 -0.05433 -0.05998 -0.05280 0.06766 44 7PZ -0.05645 -0.02478 0.07704 -0.05280 -0.05280 45 8PX 0.00917 0.02598 -0.00560 0.03156 -0.01007 46 8PY 0.00917 -0.01784 -0.01970 -0.01007 0.03156 47 8PZ 0.00917 -0.00814 0.02530 -0.01007 -0.01007 48 9D 0 0.00000 -0.00448 0.01392 -0.00726 -0.00726 49 9D+1 -0.00428 0.00520 0.00574 0.00338 -0.00922 50 9D-1 -0.00428 -0.00757 0.00163 -0.00922 0.00338 51 9D+2 0.00000 0.01392 0.00448 0.01258 -0.01258 52 9D-2 -0.00428 0.00237 -0.00738 0.00338 0.00338 53 3 C 1S -0.01153 0.00000 0.00000 0.00208 0.00208 54 2S -0.02470 0.00000 0.00000 0.00426 0.00426 55 3S 0.02881 0.00000 0.00000 -0.00278 -0.00278 56 4S 0.09655 0.00000 0.00000 -0.02288 -0.02288 57 5S 0.01687 0.00000 0.00000 -0.00430 -0.00430 58 6PX 0.09226 -0.10224 0.02205 0.09146 -0.06333 59 6PY 0.09226 0.07022 0.07752 -0.06333 0.09146 60 6PZ -0.09226 -0.03202 0.09957 0.06333 0.06333 61 7PX 0.05645 -0.07911 0.01706 0.06766 -0.05280 62 7PY 0.05645 0.05433 0.05998 -0.05280 0.06766 63 7PZ -0.05645 -0.02478 0.07704 0.05280 0.05280 64 8PX -0.00917 -0.02598 0.00560 0.03156 -0.01007 65 8PY -0.00917 0.01784 0.01970 -0.01007 0.03156 66 8PZ 0.00917 -0.00814 0.02530 0.01007 0.01007 67 9D 0 0.00000 -0.00448 0.01392 0.00726 0.00726 68 9D+1 0.00428 -0.00520 -0.00574 0.00338 -0.00922 69 9D-1 0.00428 0.00757 -0.00163 -0.00922 0.00338 70 9D+2 0.00000 0.01392 0.00448 -0.01258 0.01258 71 9D-2 -0.00428 0.00237 -0.00738 -0.00338 -0.00338 72 4 C 1S -0.01153 0.00000 0.00000 0.00208 -0.00208 73 2S -0.02470 0.00000 0.00000 0.00426 -0.00426 74 3S 0.02881 0.00000 0.00000 -0.00278 0.00278 75 4S 0.09655 0.00000 0.00000 -0.02288 0.02288 76 5S 0.01687 0.00000 0.00000 -0.00430 0.00430 77 6PX 0.09226 -0.10224 0.02205 0.09146 0.06333 78 6PY -0.09226 -0.07022 -0.07752 0.06333 0.09146 79 6PZ 0.09226 0.03202 -0.09957 -0.06333 0.06333 80 7PX 0.05645 -0.07911 0.01706 0.06766 0.05280 81 7PY -0.05645 -0.05433 -0.05998 0.05280 0.06766 82 7PZ 0.05645 0.02478 -0.07704 -0.05280 0.05280 83 8PX -0.00917 -0.02598 0.00560 0.03156 0.01007 84 8PY 0.00917 -0.01784 -0.01970 0.01007 0.03156 85 8PZ -0.00917 0.00814 -0.02530 -0.01007 0.01007 86 9D 0 0.00000 -0.00448 0.01392 0.00726 -0.00726 87 9D+1 -0.00428 0.00520 0.00574 -0.00338 -0.00922 88 9D-1 0.00428 0.00757 -0.00163 -0.00922 -0.00338 89 9D+2 0.00000 0.01392 0.00448 -0.01258 -0.01258 90 9D-2 0.00428 -0.00237 0.00738 0.00338 -0.00338 91 5 C 1S -0.01153 0.00000 0.00000 -0.00208 0.00208 92 2S -0.02470 0.00000 0.00000 -0.00426 0.00426 93 3S 0.02881 0.00000 0.00000 0.00278 -0.00278 94 4S 0.09655 0.00000 0.00000 0.02288 -0.02288 95 5S 0.01687 0.00000 0.00000 0.00430 -0.00430 96 6PX -0.09226 0.10224 -0.02205 0.09146 0.06333 97 6PY 0.09226 0.07022 0.07752 0.06333 0.09146 98 6PZ 0.09226 0.03202 -0.09957 0.06333 -0.06333 99 7PX -0.05645 0.07911 -0.01706 0.06766 0.05280 100 7PY 0.05645 0.05433 0.05998 0.05280 0.06766 101 7PZ 0.05645 0.02478 -0.07704 0.05280 -0.05280 102 8PX 0.00917 0.02598 -0.00560 0.03156 0.01007 103 8PY -0.00917 0.01784 0.01970 0.01007 0.03156 104 8PZ -0.00917 0.00814 -0.02530 0.01007 -0.01007 105 9D 0 0.00000 -0.00448 0.01392 -0.00726 0.00726 106 9D+1 0.00428 -0.00520 -0.00574 -0.00338 -0.00922 107 9D-1 -0.00428 -0.00757 0.00163 -0.00922 -0.00338 108 9D+2 0.00000 0.01392 0.00448 0.01258 0.01258 109 9D-2 0.00428 -0.00237 0.00738 -0.00338 0.00338 110 6 O 1S -0.01004 0.00000 0.00000 -0.00081 -0.00081 111 2S -0.02364 0.00000 0.00000 -0.00184 -0.00184 112 3S 0.03195 0.00000 0.00000 0.00131 0.00131 113 4S 0.06662 0.00000 0.00000 0.01030 0.01030 114 5S 0.05289 0.00000 0.00000 0.00243 0.00243 115 6PX 0.09480 0.15621 -0.03369 0.17248 -0.06862 116 6PY 0.09480 -0.10728 -0.11844 -0.06862 0.17248 117 6PZ 0.09480 -0.04893 0.15213 -0.06862 -0.06862 118 7PX 0.06772 0.12935 -0.02790 0.14071 -0.05931 119 7PY 0.06772 -0.08883 -0.09807 -0.05931 0.14071 120 7PZ 0.06772 -0.04051 0.12596 -0.05931 -0.05931 121 8PX 0.03057 0.06532 -0.01409 0.07028 -0.02969 122 8PY 0.03057 -0.04486 -0.04953 -0.02969 0.07028 123 8PZ 0.03057 -0.02046 0.06361 -0.02969 -0.02969 124 9D 0 0.00000 0.00360 -0.01118 0.00587 0.00587 125 9D+1 -0.00532 -0.00456 -0.00504 -0.00391 0.00626 126 9D-1 -0.00532 0.00664 -0.00143 0.00626 -0.00391 127 9D+2 0.00000 -0.01118 -0.00360 -0.01017 0.01017 128 9D-2 -0.00532 -0.00208 0.00647 -0.00391 -0.00391 129 7 O 1S -0.01004 0.00000 0.00000 0.00081 -0.00081 130 2S -0.02364 0.00000 0.00000 0.00184 -0.00184 131 3S 0.03195 0.00000 0.00000 -0.00131 0.00131 132 4S 0.06662 0.00000 0.00000 -0.01030 0.01030 133 5S 0.05289 0.00000 0.00000 -0.00243 0.00243 134 6PX -0.09480 -0.15621 0.03369 0.17248 0.06862 135 6PY 0.09480 -0.10728 -0.11844 0.06862 0.17248 136 6PZ -0.09480 0.04893 -0.15213 -0.06862 0.06862 137 7PX -0.06772 -0.12935 0.02790 0.14071 0.05931 138 7PY 0.06772 -0.08883 -0.09807 0.05931 0.14071 139 7PZ -0.06772 0.04051 -0.12596 -0.05931 0.05931 140 8PX -0.03057 -0.06532 0.01409 0.07028 0.02969 141 8PY 0.03057 -0.04486 -0.04953 0.02969 0.07028 142 8PZ -0.03057 0.02046 -0.06361 -0.02969 0.02969 143 9D 0 0.00000 0.00360 -0.01118 -0.00587 0.00587 144 9D+1 -0.00532 -0.00456 -0.00504 0.00391 0.00626 145 9D-1 0.00532 -0.00664 0.00143 0.00626 0.00391 146 9D+2 0.00000 -0.01118 -0.00360 0.01017 0.01017 147 9D-2 0.00532 0.00208 -0.00647 -0.00391 0.00391 148 8 O 1S -0.01004 0.00000 0.00000 -0.00081 0.00081 149 2S -0.02364 0.00000 0.00000 -0.00184 0.00184 150 3S 0.03195 0.00000 0.00000 0.00131 -0.00131 151 4S 0.06662 0.00000 0.00000 0.01030 -0.01030 152 5S 0.05289 0.00000 0.00000 0.00243 -0.00243 153 6PX 0.09480 0.15621 -0.03369 0.17248 0.06862 154 6PY -0.09480 0.10728 0.11844 0.06862 0.17248 155 6PZ -0.09480 0.04893 -0.15213 0.06862 -0.06862 156 7PX 0.06772 0.12935 -0.02790 0.14071 0.05931 157 7PY -0.06772 0.08883 0.09807 0.05931 0.14071 158 7PZ -0.06772 0.04051 -0.12596 0.05931 -0.05931 159 8PX 0.03057 0.06532 -0.01409 0.07028 0.02969 160 8PY -0.03057 0.04486 0.04953 0.02969 0.07028 161 8PZ -0.03057 0.02046 -0.06361 0.02969 -0.02969 162 9D 0 0.00000 0.00360 -0.01118 0.00587 -0.00587 163 9D+1 0.00532 0.00456 0.00504 0.00391 0.00626 164 9D-1 -0.00532 0.00664 -0.00143 0.00626 0.00391 165 9D+2 0.00000 -0.01118 -0.00360 -0.01017 -0.01017 166 9D-2 0.00532 0.00208 -0.00647 0.00391 -0.00391 167 9 O 1S -0.01004 0.00000 0.00000 0.00081 0.00081 168 2S -0.02364 0.00000 0.00000 0.00184 0.00184 169 3S 0.03195 0.00000 0.00000 -0.00131 -0.00131 170 4S 0.06662 0.00000 0.00000 -0.01030 -0.01030 171 5S 0.05289 0.00000 0.00000 -0.00243 -0.00243 172 6PX -0.09480 -0.15621 0.03369 0.17248 -0.06862 173 6PY -0.09480 0.10728 0.11844 -0.06862 0.17248 174 6PZ 0.09480 -0.04893 0.15213 0.06862 0.06862 175 7PX -0.06772 -0.12935 0.02790 0.14071 -0.05931 176 7PY -0.06772 0.08883 0.09807 -0.05931 0.14071 177 7PZ 0.06772 -0.04051 0.12596 0.05931 0.05931 178 8PX -0.03057 -0.06532 0.01409 0.07028 -0.02969 179 8PY -0.03057 0.04486 0.04953 -0.02969 0.07028 180 8PZ 0.03057 -0.02046 0.06361 0.02969 0.02969 181 9D 0 0.00000 0.00360 -0.01118 -0.00587 -0.00587 182 9D+1 0.00532 0.00456 0.00504 -0.00391 0.00626 183 9D-1 0.00532 -0.00664 0.00143 0.00626 -0.00391 184 9D+2 0.00000 -0.01118 -0.00360 0.01017 -0.01017 185 9D-2 -0.00532 -0.00208 0.00647 0.00391 0.00391 31 32 33 34 35 (T2)--O (T1)--O (T1)--O (T1)--O (T2)--O Eigenvalues -- -0.48631 -0.47874 -0.47874 -0.47874 -0.46370 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.04054 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.01324 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 -0.11082 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ -0.03634 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.00929 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ -0.00089 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.12090 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.01047 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.24263 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 -0.02649 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.15522 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -0.01562 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.12774 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 -0.01860 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00208 0.00000 0.00000 0.00000 -0.02449 35 2S -0.00426 0.00000 0.00000 0.00000 -0.05298 36 3S 0.00278 0.00000 0.00000 0.00000 0.08249 37 4S 0.02288 0.00000 0.00000 0.00000 0.15079 38 5S 0.00430 0.00000 0.00000 0.00000 0.06379 39 6PX -0.06333 0.08775 0.08775 0.00000 -0.10488 40 6PY -0.06333 -0.08775 0.00000 0.08775 -0.08864 41 6PZ 0.09146 0.00000 -0.08775 -0.08775 -0.08864 42 7PX -0.05280 0.06600 0.06600 0.00000 -0.06260 43 7PY -0.05280 -0.06600 0.00000 0.06600 -0.04845 44 7PZ 0.06766 0.00000 -0.06600 -0.06600 -0.04845 45 8PX -0.01007 0.02219 0.02219 0.00000 -0.00533 46 8PY -0.01007 -0.02219 0.00000 0.02219 0.00864 47 8PZ 0.03156 0.00000 -0.02219 -0.02219 0.00864 48 9D 0 0.01452 0.00000 -0.01404 -0.01404 0.00044 49 9D+1 0.00338 0.00831 0.00000 -0.00831 -0.00358 50 9D-1 0.00338 -0.00831 -0.00831 0.00000 -0.00088 51 9D+2 0.00000 0.01621 0.00810 -0.00810 -0.00077 52 9D-2 -0.00922 0.00000 0.00831 0.00831 -0.00358 53 3 C 1S -0.00208 0.00000 0.00000 0.00000 0.02449 54 2S -0.00426 0.00000 0.00000 0.00000 0.05298 55 3S 0.00278 0.00000 0.00000 0.00000 -0.08249 56 4S 0.02288 0.00000 0.00000 0.00000 -0.15079 57 5S 0.00430 0.00000 0.00000 0.00000 -0.06379 58 6PX 0.06333 -0.08775 0.08775 0.00000 -0.10488 59 6PY 0.06333 0.08775 0.00000 0.08775 -0.08864 60 6PZ 0.09146 0.00000 0.08775 0.08775 0.08864 61 7PX 0.05280 -0.06600 0.06600 0.00000 -0.06260 62 7PY 0.05280 0.06600 0.00000 0.06600 -0.04845 63 7PZ 0.06766 0.00000 0.06600 0.06600 0.04845 64 8PX 0.01007 -0.02219 0.02219 0.00000 -0.00533 65 8PY 0.01007 0.02219 0.00000 0.02219 0.00864 66 8PZ 0.03156 0.00000 0.02219 0.02219 -0.00864 67 9D 0 0.01452 0.00000 0.01404 0.01404 -0.00044 68 9D+1 -0.00338 -0.00831 0.00000 -0.00831 -0.00358 69 9D-1 -0.00338 0.00831 -0.00831 0.00000 -0.00088 70 9D+2 0.00000 0.01621 -0.00810 0.00810 0.00077 71 9D-2 -0.00922 0.00000 -0.00831 -0.00831 0.00358 72 4 C 1S 0.00208 0.00000 0.00000 0.00000 0.02449 73 2S 0.00426 0.00000 0.00000 0.00000 0.05298 74 3S -0.00278 0.00000 0.00000 0.00000 -0.08249 75 4S -0.02288 0.00000 0.00000 0.00000 -0.15079 76 5S -0.00430 0.00000 0.00000 0.00000 -0.06379 77 6PX -0.06333 0.08775 -0.08775 0.00000 -0.10488 78 6PY 0.06333 0.08775 0.00000 -0.08775 0.08864 79 6PZ 0.09146 0.00000 0.08775 -0.08775 -0.08864 80 7PX -0.05280 0.06600 -0.06600 0.00000 -0.06260 81 7PY 0.05280 0.06600 0.00000 -0.06600 0.04845 82 7PZ 0.06766 0.00000 0.06600 -0.06600 -0.04845 83 8PX -0.01007 0.02219 -0.02219 0.00000 -0.00533 84 8PY 0.01007 0.02219 0.00000 -0.02219 -0.00864 85 8PZ 0.03156 0.00000 0.02219 -0.02219 0.00864 86 9D 0 -0.01452 0.00000 -0.01404 0.01404 -0.00044 87 9D+1 -0.00338 -0.00831 0.00000 0.00831 0.00358 88 9D-1 0.00338 -0.00831 0.00831 0.00000 -0.00088 89 9D+2 0.00000 -0.01621 0.00810 0.00810 0.00077 90 9D-2 -0.00922 0.00000 -0.00831 0.00831 -0.00358 91 5 C 1S 0.00208 0.00000 0.00000 0.00000 -0.02449 92 2S 0.00426 0.00000 0.00000 0.00000 -0.05298 93 3S -0.00278 0.00000 0.00000 0.00000 0.08249 94 4S -0.02288 0.00000 0.00000 0.00000 0.15079 95 5S -0.00430 0.00000 0.00000 0.00000 0.06379 96 6PX 0.06333 -0.08775 -0.08775 0.00000 -0.10488 97 6PY -0.06333 -0.08775 0.00000 -0.08775 0.08864 98 6PZ 0.09146 0.00000 -0.08775 0.08775 0.08864 99 7PX 0.05280 -0.06600 -0.06600 0.00000 -0.06260 100 7PY -0.05280 -0.06600 0.00000 -0.06600 0.04845 101 7PZ 0.06766 0.00000 -0.06600 0.06600 0.04845 102 8PX 0.01007 -0.02219 -0.02219 0.00000 -0.00533 103 8PY -0.01007 -0.02219 0.00000 -0.02219 -0.00864 104 8PZ 0.03156 0.00000 -0.02219 0.02219 -0.00864 105 9D 0 -0.01452 0.00000 0.01404 -0.01404 0.00044 106 9D+1 0.00338 0.00831 0.00000 0.00831 0.00358 107 9D-1 -0.00338 0.00831 0.00831 0.00000 -0.00088 108 9D+2 0.00000 -0.01621 -0.00810 -0.00810 -0.00077 109 9D-2 -0.00922 0.00000 0.00831 -0.00831 0.00358 110 6 O 1S -0.00081 0.00000 0.00000 0.00000 -0.00280 111 2S -0.00184 0.00000 0.00000 0.00000 -0.00639 112 3S 0.00131 0.00000 0.00000 0.00000 0.00615 113 4S 0.01030 0.00000 0.00000 0.00000 0.02167 114 5S 0.00243 0.00000 0.00000 0.00000 0.01122 115 6PX -0.06862 0.14597 0.14597 0.00000 0.05125 116 6PY -0.06862 -0.14597 0.00000 0.14597 0.07806 117 6PZ 0.17248 0.00000 -0.14597 -0.14597 0.07806 118 7PX -0.05931 0.12138 0.12138 0.00000 0.03556 119 7PY -0.05931 -0.12138 0.00000 0.12138 0.05893 120 7PZ 0.14071 0.00000 -0.12138 -0.12138 0.05893 121 8PX -0.02969 0.06274 0.06274 0.00000 0.02124 122 8PY -0.02969 -0.06274 0.00000 0.06274 0.02739 123 8PZ 0.07028 0.00000 -0.06274 -0.06274 0.02739 124 9D 0 -0.01175 0.00000 0.01040 0.01040 -0.00060 125 9D+1 -0.00391 -0.00600 0.00000 0.00600 -0.00375 126 9D-1 -0.00391 0.00600 0.00600 0.00000 -0.00477 127 9D+2 0.00000 -0.01201 -0.00600 0.00600 0.00103 128 9D-2 0.00626 0.00000 -0.00600 -0.00600 -0.00375 129 7 O 1S 0.00081 0.00000 0.00000 0.00000 0.00280 130 2S 0.00184 0.00000 0.00000 0.00000 0.00639 131 3S -0.00131 0.00000 0.00000 0.00000 -0.00615 132 4S -0.01030 0.00000 0.00000 0.00000 -0.02167 133 5S -0.00243 0.00000 0.00000 0.00000 -0.01122 134 6PX -0.06862 0.14597 -0.14597 0.00000 0.05125 135 6PY 0.06862 0.14597 0.00000 -0.14597 -0.07806 136 6PZ 0.17248 0.00000 0.14597 -0.14597 0.07806 137 7PX -0.05931 0.12138 -0.12138 0.00000 0.03556 138 7PY 0.05931 0.12138 0.00000 -0.12138 -0.05893 139 7PZ 0.14071 0.00000 0.12138 -0.12138 0.05893 140 8PX -0.02969 0.06274 -0.06274 0.00000 0.02124 141 8PY 0.02969 0.06274 0.00000 -0.06274 -0.02739 142 8PZ 0.07028 0.00000 0.06274 -0.06274 0.02739 143 9D 0 0.01175 0.00000 0.01040 -0.01040 0.00060 144 9D+1 0.00391 0.00600 0.00000 -0.00600 0.00375 145 9D-1 -0.00391 0.00600 -0.00600 0.00000 -0.00477 146 9D+2 0.00000 0.01201 -0.00600 -0.00600 -0.00103 147 9D-2 0.00626 0.00000 0.00600 -0.00600 -0.00375 148 8 O 1S 0.00081 0.00000 0.00000 0.00000 -0.00280 149 2S 0.00184 0.00000 0.00000 0.00000 -0.00639 150 3S -0.00131 0.00000 0.00000 0.00000 0.00615 151 4S -0.01030 0.00000 0.00000 0.00000 0.02167 152 5S -0.00243 0.00000 0.00000 0.00000 0.01122 153 6PX 0.06862 -0.14597 -0.14597 0.00000 0.05125 154 6PY -0.06862 -0.14597 0.00000 -0.14597 -0.07806 155 6PZ 0.17248 0.00000 -0.14597 0.14597 -0.07806 156 7PX 0.05931 -0.12138 -0.12138 0.00000 0.03556 157 7PY -0.05931 -0.12138 0.00000 -0.12138 -0.05893 158 7PZ 0.14071 0.00000 -0.12138 0.12138 -0.05893 159 8PX 0.02969 -0.06274 -0.06274 0.00000 0.02124 160 8PY -0.02969 -0.06274 0.00000 -0.06274 -0.02739 161 8PZ 0.07028 0.00000 -0.06274 0.06274 -0.02739 162 9D 0 0.01175 0.00000 -0.01040 0.01040 -0.00060 163 9D+1 -0.00391 -0.00600 0.00000 -0.00600 0.00375 164 9D-1 0.00391 -0.00600 -0.00600 0.00000 -0.00477 165 9D+2 0.00000 0.01201 0.00600 0.00600 0.00103 166 9D-2 0.00626 0.00000 -0.00600 0.00600 0.00375 167 9 O 1S -0.00081 0.00000 0.00000 0.00000 0.00280 168 2S -0.00184 0.00000 0.00000 0.00000 0.00639 169 3S 0.00131 0.00000 0.00000 0.00000 -0.00615 170 4S 0.01030 0.00000 0.00000 0.00000 -0.02167 171 5S 0.00243 0.00000 0.00000 0.00000 -0.01122 172 6PX 0.06862 -0.14597 0.14597 0.00000 0.05125 173 6PY 0.06862 0.14597 0.00000 0.14597 0.07806 174 6PZ 0.17248 0.00000 0.14597 0.14597 -0.07806 175 7PX 0.05931 -0.12138 0.12138 0.00000 0.03556 176 7PY 0.05931 0.12138 0.00000 0.12138 0.05893 177 7PZ 0.14071 0.00000 0.12138 0.12138 -0.05893 178 8PX 0.02969 -0.06274 0.06274 0.00000 0.02124 179 8PY 0.02969 0.06274 0.00000 0.06274 0.02739 180 8PZ 0.07028 0.00000 0.06274 0.06274 -0.02739 181 9D 0 -0.01175 0.00000 -0.01040 -0.01040 0.00060 182 9D+1 0.00391 0.00600 0.00000 0.00600 -0.00375 183 9D-1 0.00391 -0.00600 0.00600 0.00000 -0.00477 184 9D+2 0.00000 -0.01201 0.00600 -0.00600 -0.00103 185 9D-2 0.00626 0.00000 0.00600 0.00600 0.00375 36 37 38 39 40 (T2)--O (T2)--O (E)--O (E)--O (T2)--O Eigenvalues -- -0.46370 -0.46370 -0.31535 -0.31535 -0.27054 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.04054 0.00000 0.00000 0.00000 9 7PZ 0.04054 0.00000 0.00000 0.00000 -0.03609 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 -0.11082 0.00000 0.00000 0.00000 12 8PZ -0.11082 0.00000 0.00000 0.00000 0.09915 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 -0.00929 0.00000 0.00000 0.00000 15 9PZ -0.00929 0.00000 0.00000 0.00000 0.01713 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.12090 0.00000 0.00000 0.00000 18 10PZ 0.12090 0.00000 0.00000 0.00000 -0.20820 19 11D 0 0.00000 0.00000 -0.02205 0.55668 0.00000 20 11D+1 0.00000 0.24263 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.55668 0.02205 0.00000 23 11D-2 0.24263 0.00000 0.00000 0.00000 0.48887 24 12D 0 0.00000 0.00000 -0.01352 0.34125 0.00000 25 12D+1 0.00000 0.15522 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.34125 0.01352 0.00000 28 12D-2 0.15522 0.00000 0.00000 0.00000 0.30089 29 13D 0 0.00000 0.00000 -0.01073 0.27090 0.00000 30 13D+1 0.00000 0.12774 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.27090 0.01073 0.00000 33 13D-2 0.12774 0.00000 0.00000 0.00000 0.22125 34 2 C 1S -0.02449 -0.02449 0.00000 0.00000 0.01268 35 2S -0.05298 -0.05298 0.00000 0.00000 0.02749 36 3S 0.08249 0.08249 0.00000 0.00000 -0.04223 37 4S 0.15079 0.15079 0.00000 0.00000 -0.08206 38 5S 0.06379 0.06379 0.00000 0.00000 -0.06255 39 6PX -0.08864 -0.08864 0.02121 -0.01115 0.04892 40 6PY -0.08864 -0.10488 -0.02026 -0.01279 0.04892 41 6PZ -0.10488 -0.08864 -0.00095 0.02394 -0.00423 42 7PX -0.04845 -0.04845 0.02512 -0.01320 0.03508 43 7PY -0.04845 -0.06260 -0.02399 -0.01515 0.03508 44 7PZ -0.06260 -0.04845 -0.00112 0.02835 -0.01640 45 8PX 0.00864 0.00864 0.03363 -0.01768 0.00529 46 8PY 0.00864 -0.00533 -0.03213 -0.02029 0.00529 47 8PZ -0.00533 0.00864 -0.00150 0.03797 -0.06584 48 9D 0 -0.00088 0.00044 0.00043 -0.01080 0.01222 49 9D+1 -0.00358 -0.00088 -0.00712 -0.00450 0.00889 50 9D-1 -0.00358 -0.00358 0.00746 -0.00392 0.00889 51 9D+2 0.00000 0.00077 -0.01080 -0.00043 0.00000 52 9D-2 -0.00088 -0.00358 -0.00033 0.00842 0.00087 53 3 C 1S -0.02449 0.02449 0.00000 0.00000 0.01268 54 2S -0.05298 0.05298 0.00000 0.00000 0.02749 55 3S 0.08249 -0.08249 0.00000 0.00000 -0.04223 56 4S 0.15079 -0.15079 0.00000 0.00000 -0.08206 57 5S 0.06379 -0.06379 0.00000 0.00000 -0.06255 58 6PX 0.08864 -0.08864 -0.02121 0.01115 -0.04892 59 6PY 0.08864 -0.10488 0.02026 0.01279 -0.04892 60 6PZ -0.10488 0.08864 -0.00095 0.02394 -0.00423 61 7PX 0.04845 -0.04845 -0.02512 0.01320 -0.03508 62 7PY 0.04845 -0.06260 0.02399 0.01515 -0.03508 63 7PZ -0.06260 0.04845 -0.00112 0.02835 -0.01640 64 8PX -0.00864 0.00864 -0.03363 0.01768 -0.00529 65 8PY -0.00864 -0.00533 0.03213 0.02029 -0.00529 66 8PZ -0.00533 -0.00864 -0.00150 0.03797 -0.06584 67 9D 0 -0.00088 -0.00044 0.00043 -0.01080 0.01222 68 9D+1 0.00358 -0.00088 0.00712 0.00450 -0.00889 69 9D-1 0.00358 -0.00358 -0.00746 0.00392 -0.00889 70 9D+2 0.00000 -0.00077 -0.01080 -0.00043 0.00000 71 9D-2 -0.00088 0.00358 -0.00033 0.00842 0.00087 72 4 C 1S 0.02449 -0.02449 0.00000 0.00000 -0.01268 73 2S 0.05298 -0.05298 0.00000 0.00000 -0.02749 74 3S -0.08249 0.08249 0.00000 0.00000 0.04223 75 4S -0.15079 0.15079 0.00000 0.00000 0.08206 76 5S -0.06379 0.06379 0.00000 0.00000 0.06255 77 6PX -0.08864 0.08864 -0.02121 0.01115 0.04892 78 6PY 0.08864 -0.10488 -0.02026 -0.01279 -0.04892 79 6PZ -0.10488 0.08864 0.00095 -0.02394 -0.00423 80 7PX -0.04845 0.04845 -0.02512 0.01320 0.03508 81 7PY 0.04845 -0.06260 -0.02399 -0.01515 -0.03508 82 7PZ -0.06260 0.04845 0.00112 -0.02835 -0.01640 83 8PX 0.00864 -0.00864 -0.03363 0.01768 0.00529 84 8PY -0.00864 -0.00533 -0.03213 -0.02029 -0.00529 85 8PZ -0.00533 -0.00864 0.00150 -0.03797 -0.06584 86 9D 0 0.00088 0.00044 0.00043 -0.01080 -0.01222 87 9D+1 0.00358 -0.00088 -0.00712 -0.00450 -0.00889 88 9D-1 -0.00358 0.00358 -0.00746 0.00392 0.00889 89 9D+2 0.00000 0.00077 -0.01080 -0.00043 0.00000 90 9D-2 -0.00088 0.00358 0.00033 -0.00842 0.00087 91 5 C 1S 0.02449 0.02449 0.00000 0.00000 -0.01268 92 2S 0.05298 0.05298 0.00000 0.00000 -0.02749 93 3S -0.08249 -0.08249 0.00000 0.00000 0.04223 94 4S -0.15079 -0.15079 0.00000 0.00000 0.08206 95 5S -0.06379 -0.06379 0.00000 0.00000 0.06255 96 6PX 0.08864 0.08864 0.02121 -0.01115 -0.04892 97 6PY -0.08864 -0.10488 0.02026 0.01279 0.04892 98 6PZ -0.10488 -0.08864 0.00095 -0.02394 -0.00423 99 7PX 0.04845 0.04845 0.02512 -0.01320 -0.03508 100 7PY -0.04845 -0.06260 0.02399 0.01515 0.03508 101 7PZ -0.06260 -0.04845 0.00112 -0.02835 -0.01640 102 8PX -0.00864 -0.00864 0.03363 -0.01768 -0.00529 103 8PY 0.00864 -0.00533 0.03213 0.02029 0.00529 104 8PZ -0.00533 0.00864 0.00150 -0.03797 -0.06584 105 9D 0 0.00088 -0.00044 0.00043 -0.01080 -0.01222 106 9D+1 -0.00358 -0.00088 0.00712 0.00450 0.00889 107 9D-1 0.00358 0.00358 0.00746 -0.00392 -0.00889 108 9D+2 0.00000 -0.00077 -0.01080 -0.00043 0.00000 109 9D-2 -0.00088 -0.00358 0.00033 -0.00842 0.00087 110 6 O 1S -0.00280 -0.00280 0.00000 0.00000 -0.00307 111 2S -0.00639 -0.00639 0.00000 0.00000 -0.00750 112 3S 0.00615 0.00615 0.00000 0.00000 0.01465 113 4S 0.02167 0.02167 0.00000 0.00000 0.01134 114 5S 0.01122 0.01122 0.00000 0.00000 0.04545 115 6PX 0.07806 0.07806 -0.05681 0.02987 -0.05473 116 6PY 0.07806 0.05125 0.05427 0.03427 -0.05473 117 6PZ 0.05125 0.07806 0.00254 -0.06413 0.04229 118 7PX 0.05893 0.05893 -0.04649 0.02444 -0.04389 119 7PY 0.05893 0.03556 0.04441 0.02804 -0.04389 120 7PZ 0.03556 0.05893 0.00208 -0.05248 0.03605 121 8PX 0.02739 0.02739 -0.04938 0.02596 -0.04089 122 8PY 0.02739 0.02124 0.04717 0.02978 -0.04089 123 8PZ 0.02124 0.02739 0.00221 -0.05574 0.04668 124 9D 0 0.00119 -0.00060 -0.00006 0.00163 -0.00080 125 9D+1 -0.00375 -0.00477 0.00076 0.00048 0.00040 126 9D-1 -0.00375 -0.00375 -0.00079 0.00042 0.00040 127 9D+2 0.00000 -0.00103 0.00163 0.00006 0.00000 128 9D-2 -0.00477 -0.00375 0.00004 -0.00089 0.00111 129 7 O 1S 0.00280 -0.00280 0.00000 0.00000 0.00307 130 2S 0.00639 -0.00639 0.00000 0.00000 0.00750 131 3S -0.00615 0.00615 0.00000 0.00000 -0.01465 132 4S -0.02167 0.02167 0.00000 0.00000 -0.01134 133 5S -0.01122 0.01122 0.00000 0.00000 -0.04545 134 6PX 0.07806 -0.07806 0.05681 -0.02987 -0.05473 135 6PY -0.07806 0.05125 0.05427 0.03427 0.05473 136 6PZ 0.05125 -0.07806 -0.00254 0.06413 0.04229 137 7PX 0.05893 -0.05893 0.04649 -0.02444 -0.04389 138 7PY -0.05893 0.03556 0.04441 0.02804 0.04389 139 7PZ 0.03556 -0.05893 -0.00208 0.05248 0.03605 140 8PX 0.02739 -0.02739 0.04938 -0.02596 -0.04089 141 8PY -0.02739 0.02124 0.04717 0.02978 0.04089 142 8PZ 0.02124 -0.02739 -0.00221 0.05574 0.04668 143 9D 0 -0.00119 -0.00060 -0.00006 0.00163 0.00080 144 9D+1 0.00375 -0.00477 0.00076 0.00048 -0.00040 145 9D-1 -0.00375 0.00375 0.00079 -0.00042 0.00040 146 9D+2 0.00000 -0.00103 0.00163 0.00006 0.00000 147 9D-2 -0.00477 0.00375 -0.00004 0.00089 0.00111 148 8 O 1S 0.00280 0.00280 0.00000 0.00000 0.00307 149 2S 0.00639 0.00639 0.00000 0.00000 0.00750 150 3S -0.00615 -0.00615 0.00000 0.00000 -0.01465 151 4S -0.02167 -0.02167 0.00000 0.00000 -0.01134 152 5S -0.01122 -0.01122 0.00000 0.00000 -0.04545 153 6PX -0.07806 -0.07806 -0.05681 0.02987 0.05473 154 6PY 0.07806 0.05125 -0.05427 -0.03427 -0.05473 155 6PZ 0.05125 0.07806 -0.00254 0.06413 0.04229 156 7PX -0.05893 -0.05893 -0.04649 0.02444 0.04389 157 7PY 0.05893 0.03556 -0.04441 -0.02804 -0.04389 158 7PZ 0.03556 0.05893 -0.00208 0.05248 0.03605 159 8PX -0.02739 -0.02739 -0.04938 0.02596 0.04089 160 8PY 0.02739 0.02124 -0.04717 -0.02978 -0.04089 161 8PZ 0.02124 0.02739 -0.00221 0.05574 0.04668 162 9D 0 -0.00119 0.00060 -0.00006 0.00163 0.00080 163 9D+1 -0.00375 -0.00477 -0.00076 -0.00048 0.00040 164 9D-1 0.00375 0.00375 -0.00079 0.00042 -0.00040 165 9D+2 0.00000 0.00103 0.00163 0.00006 0.00000 166 9D-2 -0.00477 -0.00375 -0.00004 0.00089 0.00111 167 9 O 1S -0.00280 0.00280 0.00000 0.00000 -0.00307 168 2S -0.00639 0.00639 0.00000 0.00000 -0.00750 169 3S 0.00615 -0.00615 0.00000 0.00000 0.01465 170 4S 0.02167 -0.02167 0.00000 0.00000 0.01134 171 5S 0.01122 -0.01122 0.00000 0.00000 0.04545 172 6PX -0.07806 0.07806 0.05681 -0.02987 0.05473 173 6PY -0.07806 0.05125 -0.05427 -0.03427 0.05473 174 6PZ 0.05125 -0.07806 0.00254 -0.06413 0.04229 175 7PX -0.05893 0.05893 0.04649 -0.02444 0.04389 176 7PY -0.05893 0.03556 -0.04441 -0.02804 0.04389 177 7PZ 0.03556 -0.05893 0.00208 -0.05248 0.03605 178 8PX -0.02739 0.02739 0.04938 -0.02596 0.04089 179 8PY -0.02739 0.02124 -0.04717 -0.02978 0.04089 180 8PZ 0.02124 -0.02739 0.00221 -0.05574 0.04668 181 9D 0 0.00119 0.00060 -0.00006 0.00163 -0.00080 182 9D+1 0.00375 -0.00477 -0.00076 -0.00048 -0.00040 183 9D-1 0.00375 -0.00375 0.00079 -0.00042 -0.00040 184 9D+2 0.00000 0.00103 0.00163 0.00006 0.00000 185 9D-2 -0.00477 0.00375 0.00004 -0.00089 0.00111 41 42 43 44 45 (T2)--O (T2)--O (T2)--V (T2)--V (T2)--V Eigenvalues -- -0.27054 -0.27054 -0.05116 -0.05116 -0.05116 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX -0.03609 0.00000 0.01004 0.00000 0.00000 8 7PY 0.00000 -0.03609 0.00000 0.00000 0.01004 9 7PZ 0.00000 0.00000 0.00000 0.01004 0.00000 10 8PX 0.09915 0.00000 -0.02777 0.00000 0.00000 11 8PY 0.00000 0.09915 0.00000 0.00000 -0.02777 12 8PZ 0.00000 0.00000 0.00000 -0.02777 0.00000 13 9PX 0.01713 0.00000 -0.00492 0.00000 0.00000 14 9PY 0.00000 0.01713 0.00000 0.00000 -0.00492 15 9PZ 0.00000 0.00000 0.00000 -0.00492 0.00000 16 10PX -0.20820 0.00000 0.08819 0.00000 0.00000 17 10PY 0.00000 -0.20820 0.00000 0.00000 0.08819 18 10PZ 0.00000 0.00000 0.00000 0.08819 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.48887 0.00000 0.00000 0.28792 21 11D-1 0.48887 0.00000 0.28792 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.28792 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.30089 0.00000 0.00000 0.17116 26 12D-1 0.30089 0.00000 0.17116 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.17116 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.22125 0.00000 0.00000 0.10876 31 13D-1 0.22125 0.00000 0.10876 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.10876 0.00000 34 2 C 1S 0.01268 0.01268 0.01432 0.01432 0.01432 35 2S 0.02749 0.02749 0.03115 0.03115 0.03115 36 3S -0.04223 -0.04223 -0.04838 -0.04838 -0.04838 37 4S -0.08206 -0.08206 -0.13458 -0.13458 -0.13458 38 5S -0.06255 -0.06255 -0.11263 -0.11263 -0.11263 39 6PX -0.00423 0.04892 0.16428 -0.04178 -0.04178 40 6PY 0.04892 -0.00423 -0.04178 -0.04178 0.16428 41 6PZ 0.04892 0.04892 -0.04178 0.16428 -0.04178 42 7PX -0.01640 0.03508 0.16671 -0.05046 -0.05046 43 7PY 0.03508 -0.01640 -0.05046 -0.05046 0.16671 44 7PZ 0.03508 0.03508 -0.05046 0.16671 -0.05046 45 8PX -0.06584 0.00529 0.18215 -0.07242 -0.07242 46 8PY 0.00529 -0.06584 -0.07242 -0.07242 0.18215 47 8PZ 0.00529 0.00529 -0.07242 0.18215 -0.07242 48 9D 0 -0.00611 -0.00611 0.00367 -0.00734 0.00367 49 9D+1 0.00889 0.00087 0.00331 0.00331 0.00945 50 9D-1 0.00087 0.00889 0.00945 0.00331 0.00331 51 9D+2 0.01058 -0.01058 -0.00636 0.00000 0.00636 52 9D-2 0.00889 0.00889 0.00331 0.00945 0.00331 53 3 C 1S -0.01268 -0.01268 -0.01432 0.01432 -0.01432 54 2S -0.02749 -0.02749 -0.03115 0.03115 -0.03115 55 3S 0.04223 0.04223 0.04838 -0.04838 0.04838 56 4S 0.08206 0.08206 0.13458 -0.13458 0.13458 57 5S 0.06255 0.06255 0.11263 -0.11263 0.11263 58 6PX -0.00423 0.04892 0.16428 0.04178 -0.04178 59 6PY 0.04892 -0.00423 -0.04178 0.04178 0.16428 60 6PZ -0.04892 -0.04892 0.04178 0.16428 0.04178 61 7PX -0.01640 0.03508 0.16671 0.05046 -0.05046 62 7PY 0.03508 -0.01640 -0.05046 0.05046 0.16671 63 7PZ -0.03508 -0.03508 0.05046 0.16671 0.05046 64 8PX -0.06584 0.00529 0.18215 0.07242 -0.07242 65 8PY 0.00529 -0.06584 -0.07242 0.07242 0.18215 66 8PZ -0.00529 -0.00529 0.07242 0.18215 0.07242 67 9D 0 0.00611 0.00611 -0.00367 -0.00734 -0.00367 68 9D+1 0.00889 0.00087 0.00331 -0.00331 0.00945 69 9D-1 0.00087 0.00889 0.00945 -0.00331 0.00331 70 9D+2 -0.01058 0.01058 0.00636 0.00000 -0.00636 71 9D-2 -0.00889 -0.00889 -0.00331 0.00945 -0.00331 72 4 C 1S -0.01268 0.01268 -0.01432 -0.01432 0.01432 73 2S -0.02749 0.02749 -0.03115 -0.03115 0.03115 74 3S 0.04223 -0.04223 0.04838 0.04838 -0.04838 75 4S 0.08206 -0.08206 0.13458 0.13458 -0.13458 76 5S 0.06255 -0.06255 0.11263 0.11263 -0.11263 77 6PX -0.00423 -0.04892 0.16428 -0.04178 0.04178 78 6PY -0.04892 -0.00423 0.04178 0.04178 0.16428 79 6PZ 0.04892 -0.04892 -0.04178 0.16428 0.04178 80 7PX -0.01640 -0.03508 0.16671 -0.05046 0.05046 81 7PY -0.03508 -0.01640 0.05046 0.05046 0.16671 82 7PZ 0.03508 -0.03508 -0.05046 0.16671 0.05046 83 8PX -0.06584 -0.00529 0.18215 -0.07242 0.07242 84 8PY -0.00529 -0.06584 0.07242 0.07242 0.18215 85 8PZ 0.00529 -0.00529 -0.07242 0.18215 0.07242 86 9D 0 0.00611 -0.00611 -0.00367 0.00734 0.00367 87 9D+1 -0.00889 0.00087 -0.00331 -0.00331 0.00945 88 9D-1 0.00087 -0.00889 0.00945 0.00331 -0.00331 89 9D+2 -0.01058 -0.01058 0.00636 0.00000 0.00636 90 9D-2 0.00889 -0.00889 0.00331 0.00945 -0.00331 91 5 C 1S 0.01268 -0.01268 0.01432 -0.01432 -0.01432 92 2S 0.02749 -0.02749 0.03115 -0.03115 -0.03115 93 3S -0.04223 0.04223 -0.04838 0.04838 0.04838 94 4S -0.08206 0.08206 -0.13458 0.13458 0.13458 95 5S -0.06255 0.06255 -0.11263 0.11263 0.11263 96 6PX -0.00423 -0.04892 0.16428 0.04178 0.04178 97 6PY -0.04892 -0.00423 0.04178 -0.04178 0.16428 98 6PZ -0.04892 0.04892 0.04178 0.16428 -0.04178 99 7PX -0.01640 -0.03508 0.16671 0.05046 0.05046 100 7PY -0.03508 -0.01640 0.05046 -0.05046 0.16671 101 7PZ -0.03508 0.03508 0.05046 0.16671 -0.05046 102 8PX -0.06584 -0.00529 0.18215 0.07242 0.07242 103 8PY -0.00529 -0.06584 0.07242 -0.07242 0.18215 104 8PZ -0.00529 0.00529 0.07242 0.18215 -0.07242 105 9D 0 -0.00611 0.00611 0.00367 0.00734 -0.00367 106 9D+1 -0.00889 0.00087 -0.00331 0.00331 0.00945 107 9D-1 0.00087 -0.00889 0.00945 -0.00331 -0.00331 108 9D+2 0.01058 0.01058 -0.00636 0.00000 -0.00636 109 9D-2 -0.00889 0.00889 -0.00331 0.00945 0.00331 110 6 O 1S -0.00307 -0.00307 -0.00361 -0.00361 -0.00361 111 2S -0.00750 -0.00750 -0.00877 -0.00877 -0.00877 112 3S 0.01465 0.01465 0.01557 0.01557 0.01557 113 4S 0.01134 0.01134 0.02400 0.02400 0.02400 114 5S 0.04545 0.04545 0.03083 0.03083 0.03083 115 6PX 0.04229 -0.05473 -0.12694 0.03869 0.03869 116 6PY -0.05473 0.04229 0.03869 0.03869 -0.12694 117 6PZ -0.05473 -0.05473 0.03869 -0.12694 0.03869 118 7PX 0.03605 -0.04389 -0.10634 0.03507 0.03507 119 7PY -0.04389 0.03605 0.03507 0.03507 -0.10634 120 7PZ -0.04389 -0.04389 0.03507 -0.10634 0.03507 121 8PX 0.04668 -0.04089 -0.15269 0.05120 0.05120 122 8PY -0.04089 0.04668 0.05120 0.05120 -0.15269 123 8PZ -0.04089 -0.04089 0.05120 -0.15269 0.05120 124 9D 0 0.00040 0.00040 0.00207 -0.00414 0.00207 125 9D+1 0.00040 0.00111 -0.00105 -0.00105 0.00243 126 9D-1 0.00111 0.00040 0.00243 -0.00105 -0.00105 127 9D+2 -0.00069 0.00069 -0.00359 0.00000 0.00359 128 9D-2 0.00040 0.00040 -0.00105 0.00243 -0.00105 129 7 O 1S 0.00307 -0.00307 0.00361 0.00361 -0.00361 130 2S 0.00750 -0.00750 0.00877 0.00877 -0.00877 131 3S -0.01465 0.01465 -0.01557 -0.01557 0.01557 132 4S -0.01134 0.01134 -0.02400 -0.02400 0.02400 133 5S -0.04545 0.04545 -0.03083 -0.03083 0.03083 134 6PX 0.04229 0.05473 -0.12694 0.03869 -0.03869 135 6PY 0.05473 0.04229 -0.03869 -0.03869 -0.12694 136 6PZ -0.05473 0.05473 0.03869 -0.12694 -0.03869 137 7PX 0.03605 0.04389 -0.10634 0.03507 -0.03507 138 7PY 0.04389 0.03605 -0.03507 -0.03507 -0.10634 139 7PZ -0.04389 0.04389 0.03507 -0.10634 -0.03507 140 8PX 0.04668 0.04089 -0.15269 0.05120 -0.05120 141 8PY 0.04089 0.04668 -0.05120 -0.05120 -0.15269 142 8PZ -0.04089 0.04089 0.05120 -0.15269 -0.05120 143 9D 0 -0.00040 0.00040 -0.00207 0.00414 0.00207 144 9D+1 -0.00040 0.00111 0.00105 0.00105 0.00243 145 9D-1 0.00111 -0.00040 0.00243 -0.00105 0.00105 146 9D+2 0.00069 0.00069 0.00359 0.00000 0.00359 147 9D-2 0.00040 -0.00040 -0.00105 0.00243 0.00105 148 8 O 1S -0.00307 0.00307 -0.00361 0.00361 0.00361 149 2S -0.00750 0.00750 -0.00877 0.00877 0.00877 150 3S 0.01465 -0.01465 0.01557 -0.01557 -0.01557 151 4S 0.01134 -0.01134 0.02400 -0.02400 -0.02400 152 5S 0.04545 -0.04545 0.03083 -0.03083 -0.03083 153 6PX 0.04229 0.05473 -0.12694 -0.03869 -0.03869 154 6PY 0.05473 0.04229 -0.03869 0.03869 -0.12694 155 6PZ 0.05473 -0.05473 -0.03869 -0.12694 0.03869 156 7PX 0.03605 0.04389 -0.10634 -0.03507 -0.03507 157 7PY 0.04389 0.03605 -0.03507 0.03507 -0.10634 158 7PZ 0.04389 -0.04389 -0.03507 -0.10634 0.03507 159 8PX 0.04668 0.04089 -0.15269 -0.05120 -0.05120 160 8PY 0.04089 0.04668 -0.05120 0.05120 -0.15269 161 8PZ 0.04089 -0.04089 -0.05120 -0.15269 0.05120 162 9D 0 0.00040 -0.00040 0.00207 0.00414 -0.00207 163 9D+1 -0.00040 0.00111 0.00105 -0.00105 0.00243 164 9D-1 0.00111 -0.00040 0.00243 0.00105 0.00105 165 9D+2 -0.00069 -0.00069 -0.00359 0.00000 -0.00359 166 9D-2 -0.00040 0.00040 0.00105 0.00243 -0.00105 167 9 O 1S 0.00307 0.00307 0.00361 -0.00361 0.00361 168 2S 0.00750 0.00750 0.00877 -0.00877 0.00877 169 3S -0.01465 -0.01465 -0.01557 0.01557 -0.01557 170 4S -0.01134 -0.01134 -0.02400 0.02400 -0.02400 171 5S -0.04545 -0.04545 -0.03083 0.03083 -0.03083 172 6PX 0.04229 -0.05473 -0.12694 -0.03869 0.03869 173 6PY -0.05473 0.04229 0.03869 -0.03869 -0.12694 174 6PZ 0.05473 0.05473 -0.03869 -0.12694 -0.03869 175 7PX 0.03605 -0.04389 -0.10634 -0.03507 0.03507 176 7PY -0.04389 0.03605 0.03507 -0.03507 -0.10634 177 7PZ 0.04389 0.04389 -0.03507 -0.10634 -0.03507 178 8PX 0.04668 -0.04089 -0.15269 -0.05120 0.05120 179 8PY -0.04089 0.04668 0.05120 -0.05120 -0.15269 180 8PZ 0.04089 0.04089 -0.05120 -0.15269 -0.05120 181 9D 0 -0.00040 -0.00040 -0.00207 -0.00414 -0.00207 182 9D+1 0.00040 0.00111 -0.00105 0.00105 0.00243 183 9D-1 0.00111 0.00040 0.00243 0.00105 -0.00105 184 9D+2 0.00069 -0.00069 0.00359 0.00000 -0.00359 185 9D-2 -0.00040 -0.00040 0.00105 0.00243 0.00105 46 47 48 49 50 (E)--V (E)--V (T1)--V (T1)--V (T1)--V Eigenvalues -- -0.04236 -0.04236 -0.02245 -0.02245 -0.02245 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.06590 0.25747 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.25747 -0.06590 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.03971 0.15512 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.15512 -0.03971 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.02082 0.08133 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.08133 -0.02082 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.00000 0.00000 0.00000 38 5S 0.00000 0.00000 0.00000 0.00000 0.00000 39 6PX -0.10620 0.10385 0.15883 0.15883 0.00000 40 6PY 0.14303 0.04005 -0.15883 0.00000 0.15883 41 6PZ -0.03683 -0.14390 0.00000 -0.15883 -0.15883 42 7PX -0.11268 0.11018 0.18165 0.18165 0.00000 43 7PY 0.15176 0.04249 -0.18165 0.00000 0.18165 44 7PZ -0.03908 -0.15267 0.00000 -0.18165 -0.18165 45 8PX -0.13339 0.13044 0.16097 0.16097 0.00000 46 8PY 0.17966 0.05030 -0.16097 0.00000 0.16097 47 8PZ -0.04626 -0.18074 0.00000 -0.16097 -0.16097 48 9D 0 0.00121 0.00474 0.00000 0.00773 0.00773 49 9D+1 0.00486 0.00136 -0.00302 0.00000 0.00302 50 9D-1 -0.00361 0.00353 0.00302 0.00302 0.00000 51 9D+2 0.00474 -0.00121 -0.00892 -0.00446 0.00446 52 9D-2 -0.00125 -0.00489 0.00000 -0.00302 -0.00302 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 0.00000 56 4S 0.00000 0.00000 0.00000 0.00000 0.00000 57 5S 0.00000 0.00000 0.00000 0.00000 0.00000 58 6PX 0.10620 -0.10385 -0.15883 0.15883 0.00000 59 6PY -0.14303 -0.04005 0.15883 0.00000 0.15883 60 6PZ -0.03683 -0.14390 0.00000 0.15883 0.15883 61 7PX 0.11268 -0.11018 -0.18165 0.18165 0.00000 62 7PY -0.15176 -0.04249 0.18165 0.00000 0.18165 63 7PZ -0.03908 -0.15267 0.00000 0.18165 0.18165 64 8PX 0.13339 -0.13044 -0.16097 0.16097 0.00000 65 8PY -0.17966 -0.05030 0.16097 0.00000 0.16097 66 8PZ -0.04626 -0.18074 0.00000 0.16097 0.16097 67 9D 0 0.00121 0.00474 0.00000 -0.00773 -0.00773 68 9D+1 -0.00486 -0.00136 0.00302 0.00000 0.00302 69 9D-1 0.00361 -0.00353 -0.00302 0.00302 0.00000 70 9D+2 0.00474 -0.00121 -0.00892 0.00446 -0.00446 71 9D-2 -0.00125 -0.00489 0.00000 0.00302 0.00302 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00000 0.00000 0.00000 0.00000 0.00000 76 5S 0.00000 0.00000 0.00000 0.00000 0.00000 77 6PX 0.10620 -0.10385 0.15883 -0.15883 0.00000 78 6PY 0.14303 0.04005 0.15883 0.00000 -0.15883 79 6PZ 0.03683 0.14390 0.00000 0.15883 -0.15883 80 7PX 0.11268 -0.11018 0.18165 -0.18165 0.00000 81 7PY 0.15176 0.04249 0.18165 0.00000 -0.18165 82 7PZ 0.03908 0.15267 0.00000 0.18165 -0.18165 83 8PX 0.13339 -0.13044 0.16097 -0.16097 0.00000 84 8PY 0.17966 0.05030 0.16097 0.00000 -0.16097 85 8PZ 0.04626 0.18074 0.00000 0.16097 -0.16097 86 9D 0 0.00121 0.00474 0.00000 0.00773 -0.00773 87 9D+1 0.00486 0.00136 0.00302 0.00000 -0.00302 88 9D-1 0.00361 -0.00353 0.00302 -0.00302 0.00000 89 9D+2 0.00474 -0.00121 0.00892 -0.00446 -0.00446 90 9D-2 0.00125 0.00489 0.00000 0.00302 -0.00302 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 0.00000 0.00000 0.00000 0.00000 96 6PX -0.10620 0.10385 -0.15883 -0.15883 0.00000 97 6PY -0.14303 -0.04005 -0.15883 0.00000 -0.15883 98 6PZ 0.03683 0.14390 0.00000 -0.15883 0.15883 99 7PX -0.11268 0.11018 -0.18165 -0.18165 0.00000 100 7PY -0.15176 -0.04249 -0.18165 0.00000 -0.18165 101 7PZ 0.03908 0.15267 0.00000 -0.18165 0.18165 102 8PX -0.13339 0.13044 -0.16097 -0.16097 0.00000 103 8PY -0.17966 -0.05030 -0.16097 0.00000 -0.16097 104 8PZ 0.04626 0.18074 0.00000 -0.16097 0.16097 105 9D 0 0.00121 0.00474 0.00000 -0.00773 0.00773 106 9D+1 -0.00486 -0.00136 -0.00302 0.00000 -0.00302 107 9D-1 -0.00361 0.00353 -0.00302 -0.00302 0.00000 108 9D+2 0.00474 -0.00121 0.00892 0.00446 0.00446 109 9D-2 0.00125 0.00489 0.00000 -0.00302 0.00302 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX 0.08472 -0.08284 -0.10999 -0.10999 0.00000 116 6PY -0.11411 -0.03195 0.10999 0.00000 -0.10999 117 6PZ 0.02938 0.11479 0.00000 0.10999 0.10999 118 7PX 0.07276 -0.07114 -0.09423 -0.09423 0.00000 119 7PY -0.09799 -0.02744 0.09423 0.00000 -0.09423 120 7PZ 0.02523 0.09858 0.00000 0.09423 0.09423 121 8PX 0.10466 -0.10234 -0.14408 -0.14408 0.00000 122 8PY -0.14096 -0.03947 0.14408 0.00000 -0.14408 123 8PZ 0.03630 0.14181 0.00000 0.14408 0.14408 124 9D 0 0.00108 0.00424 0.00000 0.00562 0.00562 125 9D+1 0.00268 0.00075 -0.00312 0.00000 0.00312 126 9D-1 -0.00199 0.00194 0.00312 0.00312 0.00000 127 9D+2 0.00424 -0.00108 -0.00649 -0.00324 0.00324 128 9D-2 -0.00069 -0.00269 0.00000 -0.00312 -0.00312 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX -0.08472 0.08284 -0.10999 0.10999 0.00000 135 6PY -0.11411 -0.03195 -0.10999 0.00000 0.10999 136 6PZ -0.02938 -0.11479 0.00000 -0.10999 0.10999 137 7PX -0.07276 0.07114 -0.09423 0.09423 0.00000 138 7PY -0.09799 -0.02744 -0.09423 0.00000 0.09423 139 7PZ -0.02523 -0.09858 0.00000 -0.09423 0.09423 140 8PX -0.10466 0.10234 -0.14408 0.14408 0.00000 141 8PY -0.14096 -0.03947 -0.14408 0.00000 0.14408 142 8PZ -0.03630 -0.14181 0.00000 -0.14408 0.14408 143 9D 0 0.00108 0.00424 0.00000 0.00562 -0.00562 144 9D+1 0.00268 0.00075 0.00312 0.00000 -0.00312 145 9D-1 0.00199 -0.00194 0.00312 -0.00312 0.00000 146 9D+2 0.00424 -0.00108 0.00649 -0.00324 -0.00324 147 9D-2 0.00069 0.00269 0.00000 0.00312 -0.00312 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.08472 -0.08284 0.10999 0.10999 0.00000 154 6PY 0.11411 0.03195 0.10999 0.00000 0.10999 155 6PZ -0.02938 -0.11479 0.00000 0.10999 -0.10999 156 7PX 0.07276 -0.07114 0.09423 0.09423 0.00000 157 7PY 0.09799 0.02744 0.09423 0.00000 0.09423 158 7PZ -0.02523 -0.09858 0.00000 0.09423 -0.09423 159 8PX 0.10466 -0.10234 0.14408 0.14408 0.00000 160 8PY 0.14096 0.03947 0.14408 0.00000 0.14408 161 8PZ -0.03630 -0.14181 0.00000 0.14408 -0.14408 162 9D 0 0.00108 0.00424 0.00000 -0.00562 0.00562 163 9D+1 -0.00268 -0.00075 -0.00312 0.00000 -0.00312 164 9D-1 -0.00199 0.00194 -0.00312 -0.00312 0.00000 165 9D+2 0.00424 -0.00108 0.00649 0.00324 0.00324 166 9D-2 0.00069 0.00269 0.00000 -0.00312 0.00312 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX -0.08472 0.08284 0.10999 -0.10999 0.00000 173 6PY 0.11411 0.03195 -0.10999 0.00000 -0.10999 174 6PZ 0.02938 0.11479 0.00000 -0.10999 -0.10999 175 7PX -0.07276 0.07114 0.09423 -0.09423 0.00000 176 7PY 0.09799 0.02744 -0.09423 0.00000 -0.09423 177 7PZ 0.02523 0.09858 0.00000 -0.09423 -0.09423 178 8PX -0.10466 0.10234 0.14408 -0.14408 0.00000 179 8PY 0.14096 0.03947 -0.14408 0.00000 -0.14408 180 8PZ 0.03630 0.14181 0.00000 -0.14408 -0.14408 181 9D 0 0.00108 0.00424 0.00000 -0.00562 -0.00562 182 9D+1 -0.00268 -0.00075 0.00312 0.00000 0.00312 183 9D-1 0.00199 -0.00194 -0.00312 0.00312 0.00000 184 9D+2 0.00424 -0.00108 -0.00649 0.00324 -0.00324 185 9D-2 -0.00069 -0.00269 0.00000 0.00312 0.00312 51 52 53 54 55 (A1)--V (T2)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 0.02108 0.10641 0.10641 0.10641 0.19988 1 1 Ni 1S 0.00805 0.00000 0.00000 0.00000 0.00000 2 2S -0.02178 0.00000 0.00000 0.00000 0.00000 3 3S 0.06837 0.00000 0.00000 0.00000 0.00000 4 4S 0.03508 0.00000 0.00000 0.00000 0.00000 5 5S 0.20668 0.00000 0.00000 0.00000 0.00000 6 6S 3.70634 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.02388 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.02388 -0.00668 9 7PZ 0.00000 0.02388 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.06746 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.06746 0.02325 12 8PZ 0.00000 -0.06746 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 -0.00668 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.00668 -0.04050 15 9PZ 0.00000 -0.00668 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -0.12449 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -0.12449 0.75978 18 10PZ 0.00000 -0.12449 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.05403 -0.00312 21 11D-1 0.00000 0.00000 -0.05403 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.05403 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.02203 -0.01798 26 12D-1 0.00000 0.00000 -0.02203 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 -0.02203 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -0.06007 0.08250 31 13D-1 0.00000 0.00000 -0.06007 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 -0.06007 0.00000 0.00000 0.00000 34 2 C 1S 0.00955 -0.00842 -0.00842 -0.00842 -0.00380 35 2S 0.02330 -0.01953 -0.01953 -0.01953 -0.00889 36 3S -0.08760 0.05011 0.05011 0.05011 0.02405 37 4S 0.16379 -0.10664 -0.10664 -0.10664 0.13485 38 5S -0.89055 -0.67982 -0.67982 -0.67982 0.31867 39 6PX 0.02106 -0.04289 0.01889 -0.04289 -0.06201 40 6PY 0.02106 -0.04289 -0.04289 0.01889 0.11695 41 6PZ 0.02106 0.01889 -0.04289 -0.04289 -0.06201 42 7PX 0.04025 -0.10504 0.03924 -0.10504 -0.03182 43 7PY 0.04025 -0.10504 -0.10504 0.03924 0.35923 44 7PZ 0.04025 0.03924 -0.10504 -0.10504 -0.03182 45 8PX 0.33032 -0.54095 -0.90419 -0.54095 0.58950 46 8PY 0.33032 -0.54095 -0.54095 -0.90419 -0.07952 47 8PZ 0.33032 -0.90419 -0.54095 -0.54095 0.58950 48 9D 0 0.00000 -0.00031 0.00015 0.00015 -0.00489 49 9D+1 -0.00748 0.01089 0.01089 0.01052 -0.00764 50 9D-1 -0.00748 0.01089 0.01052 0.01089 -0.00395 51 9D+2 0.00000 0.00000 -0.00027 0.00027 -0.00846 52 9D-2 -0.00748 0.01052 0.01089 0.01089 -0.00395 53 3 C 1S 0.00955 -0.00842 0.00842 0.00842 0.00380 54 2S 0.02330 -0.01953 0.01953 0.01953 0.00889 55 3S -0.08760 0.05011 -0.05011 -0.05011 -0.02405 56 4S 0.16379 -0.10664 0.10664 0.10664 -0.13485 57 5S -0.89055 -0.67982 0.67982 0.67982 -0.31867 58 6PX -0.02106 0.04289 0.01889 -0.04289 -0.06201 59 6PY -0.02106 0.04289 -0.04289 0.01889 0.11695 60 6PZ 0.02106 0.01889 0.04289 0.04289 0.06201 61 7PX -0.04025 0.10504 0.03924 -0.10504 -0.03182 62 7PY -0.04025 0.10504 -0.10504 0.03924 0.35923 63 7PZ 0.04025 0.03924 0.10504 0.10504 0.03182 64 8PX -0.33032 0.54095 -0.90419 -0.54095 0.58950 65 8PY -0.33032 0.54095 -0.54095 -0.90419 -0.07952 66 8PZ 0.33032 -0.90419 0.54095 0.54095 -0.58950 67 9D 0 0.00000 -0.00031 -0.00015 -0.00015 0.00489 68 9D+1 0.00748 -0.01089 0.01089 0.01052 -0.00764 69 9D-1 0.00748 -0.01089 0.01052 0.01089 -0.00395 70 9D+2 0.00000 0.00000 0.00027 -0.00027 0.00846 71 9D-2 -0.00748 0.01052 -0.01089 -0.01089 0.00395 72 4 C 1S 0.00955 0.00842 0.00842 -0.00842 -0.00380 73 2S 0.02330 0.01953 0.01953 -0.01953 -0.00889 74 3S -0.08760 -0.05011 -0.05011 0.05011 0.02405 75 4S 0.16379 0.10664 0.10664 -0.10664 0.13485 76 5S -0.89055 0.67982 0.67982 -0.67982 0.31867 77 6PX -0.02106 -0.04289 0.01889 0.04289 0.06201 78 6PY 0.02106 0.04289 0.04289 0.01889 0.11695 79 6PZ -0.02106 0.01889 -0.04289 0.04289 0.06201 80 7PX -0.04025 -0.10504 0.03924 0.10504 0.03182 81 7PY 0.04025 0.10504 0.10504 0.03924 0.35923 82 7PZ -0.04025 0.03924 -0.10504 0.10504 0.03182 83 8PX -0.33032 -0.54095 -0.90419 0.54095 -0.58950 84 8PY 0.33032 0.54095 0.54095 -0.90419 -0.07952 85 8PZ -0.33032 -0.90419 -0.54095 0.54095 -0.58950 86 9D 0 0.00000 0.00031 -0.00015 0.00015 -0.00489 87 9D+1 -0.00748 -0.01089 -0.01089 0.01052 -0.00764 88 9D-1 0.00748 0.01089 0.01052 -0.01089 0.00395 89 9D+2 0.00000 0.00000 0.00027 0.00027 -0.00846 90 9D-2 0.00748 0.01052 0.01089 -0.01089 0.00395 91 5 C 1S 0.00955 0.00842 -0.00842 0.00842 0.00380 92 2S 0.02330 0.01953 -0.01953 0.01953 0.00889 93 3S -0.08760 -0.05011 0.05011 -0.05011 -0.02405 94 4S 0.16379 0.10664 -0.10664 0.10664 -0.13485 95 5S -0.89055 0.67982 -0.67982 0.67982 -0.31867 96 6PX 0.02106 0.04289 0.01889 0.04289 0.06201 97 6PY -0.02106 -0.04289 0.04289 0.01889 0.11695 98 6PZ -0.02106 0.01889 0.04289 -0.04289 -0.06201 99 7PX 0.04025 0.10504 0.03924 0.10504 0.03182 100 7PY -0.04025 -0.10504 0.10504 0.03924 0.35923 101 7PZ -0.04025 0.03924 0.10504 -0.10504 -0.03182 102 8PX 0.33032 0.54095 -0.90419 0.54095 -0.58950 103 8PY -0.33032 -0.54095 0.54095 -0.90419 -0.07952 104 8PZ -0.33032 -0.90419 0.54095 -0.54095 0.58950 105 9D 0 0.00000 0.00031 0.00015 -0.00015 0.00489 106 9D+1 0.00748 0.01089 -0.01089 0.01052 -0.00764 107 9D-1 -0.00748 -0.01089 0.01052 -0.01089 0.00395 108 9D+2 0.00000 0.00000 -0.00027 -0.00027 0.00846 109 9D-2 0.00748 0.01052 -0.01089 0.01089 -0.00395 110 6 O 1S 0.00982 -0.01470 -0.01470 -0.01470 0.00992 111 2S 0.02420 -0.03850 -0.03850 -0.03850 0.02480 112 3S -0.04628 0.10787 0.10787 0.10787 -0.05261 113 4S -0.04455 -0.12096 -0.12096 -0.12096 -0.01461 114 5S -0.35344 1.26241 1.26241 1.26241 -0.71971 115 6PX -0.00086 0.00668 0.00948 0.00668 -0.00974 116 6PY -0.00086 0.00668 0.00668 0.00948 -0.00305 117 6PZ -0.00086 0.00948 0.00668 0.00668 -0.00974 118 7PX 0.00704 0.01383 0.00431 0.01383 -0.00803 119 7PY 0.00704 0.01383 0.01383 0.00431 -0.00258 120 7PZ 0.00704 0.00431 0.01383 0.01383 -0.00803 121 8PX 0.02160 -0.16232 -0.10795 -0.16232 0.15434 122 8PY 0.02160 -0.16232 -0.16232 -0.10795 0.13838 123 8PZ 0.02160 -0.10795 -0.16232 -0.16232 0.15434 124 9D 0 0.00000 -0.00190 0.00095 0.00095 0.00355 125 9D+1 -0.00189 0.00117 0.00117 0.00309 0.00293 126 9D-1 -0.00189 0.00117 0.00309 0.00117 -0.00333 127 9D+2 0.00000 0.00000 -0.00165 0.00165 0.00615 128 9D-2 -0.00189 0.00309 0.00117 0.00117 -0.00333 129 7 O 1S 0.00982 0.01470 0.01470 -0.01470 0.00992 130 2S 0.02420 0.03850 0.03850 -0.03850 0.02480 131 3S -0.04628 -0.10787 -0.10787 0.10787 -0.05261 132 4S -0.04455 0.12096 0.12096 -0.12096 -0.01461 133 5S -0.35344 -1.26241 -1.26241 1.26241 -0.71971 134 6PX 0.00086 0.00668 0.00948 -0.00668 0.00974 135 6PY -0.00086 -0.00668 -0.00668 0.00948 -0.00305 136 6PZ 0.00086 0.00948 0.00668 -0.00668 0.00974 137 7PX -0.00704 0.01383 0.00431 -0.01383 0.00803 138 7PY 0.00704 -0.01383 -0.01383 0.00431 -0.00258 139 7PZ -0.00704 0.00431 0.01383 -0.01383 0.00803 140 8PX -0.02160 -0.16232 -0.10795 0.16232 -0.15434 141 8PY 0.02160 0.16232 0.16232 -0.10795 0.13838 142 8PZ -0.02160 -0.10795 -0.16232 0.16232 -0.15434 143 9D 0 0.00000 0.00190 -0.00095 0.00095 0.00355 144 9D+1 -0.00189 -0.00117 -0.00117 0.00309 0.00293 145 9D-1 0.00189 0.00117 0.00309 -0.00117 0.00333 146 9D+2 0.00000 0.00000 0.00165 0.00165 0.00615 147 9D-2 0.00189 0.00309 0.00117 -0.00117 0.00333 148 8 O 1S 0.00982 0.01470 -0.01470 0.01470 -0.00992 149 2S 0.02420 0.03850 -0.03850 0.03850 -0.02480 150 3S -0.04628 -0.10787 0.10787 -0.10787 0.05261 151 4S -0.04455 0.12096 -0.12096 0.12096 0.01461 152 5S -0.35344 -1.26241 1.26241 -1.26241 0.71971 153 6PX -0.00086 -0.00668 0.00948 -0.00668 0.00974 154 6PY 0.00086 0.00668 -0.00668 0.00948 -0.00305 155 6PZ 0.00086 0.00948 -0.00668 0.00668 -0.00974 156 7PX 0.00704 -0.01383 0.00431 -0.01383 0.00803 157 7PY -0.00704 0.01383 -0.01383 0.00431 -0.00258 158 7PZ -0.00704 0.00431 -0.01383 0.01383 -0.00803 159 8PX 0.02160 0.16232 -0.10795 0.16232 -0.15434 160 8PY -0.02160 -0.16232 0.16232 -0.10795 0.13838 161 8PZ -0.02160 -0.10795 0.16232 -0.16232 0.15434 162 9D 0 0.00000 0.00190 0.00095 -0.00095 -0.00355 163 9D+1 0.00189 0.00117 -0.00117 0.00309 0.00293 164 9D-1 -0.00189 -0.00117 0.00309 -0.00117 0.00333 165 9D+2 0.00000 0.00000 -0.00165 -0.00165 -0.00615 166 9D-2 0.00189 0.00309 -0.00117 0.00117 -0.00333 167 9 O 1S 0.00982 -0.01470 0.01470 0.01470 -0.00992 168 2S 0.02420 -0.03850 0.03850 0.03850 -0.02480 169 3S -0.04628 0.10787 -0.10787 -0.10787 0.05261 170 4S -0.04455 -0.12096 0.12096 0.12096 0.01461 171 5S -0.35344 1.26241 -1.26241 -1.26241 0.71971 172 6PX 0.00086 -0.00668 0.00948 0.00668 -0.00974 173 6PY 0.00086 -0.00668 0.00668 0.00948 -0.00305 174 6PZ -0.00086 0.00948 -0.00668 -0.00668 0.00974 175 7PX -0.00704 -0.01383 0.00431 0.01383 -0.00803 176 7PY -0.00704 -0.01383 0.01383 0.00431 -0.00258 177 7PZ 0.00704 0.00431 -0.01383 -0.01383 0.00803 178 8PX -0.02160 0.16232 -0.10795 -0.16232 0.15434 179 8PY -0.02160 0.16232 -0.16232 -0.10795 0.13838 180 8PZ 0.02160 -0.10795 0.16232 0.16232 -0.15434 181 9D 0 0.00000 -0.00190 -0.00095 -0.00095 -0.00355 182 9D+1 0.00189 -0.00117 0.00117 0.00309 0.00293 183 9D-1 0.00189 -0.00117 0.00309 0.00117 -0.00333 184 9D+2 0.00000 0.00000 0.00165 -0.00165 -0.00615 185 9D-2 -0.00189 0.00309 -0.00117 -0.00117 0.00333 56 57 58 59 60 (T2)--V (T2)--V (A1)--V (E)--V (E)--V Eigenvalues -- 0.19988 0.19988 0.20613 0.21663 0.21663 1 1 Ni 1S 0.00000 0.00000 -0.01602 0.00000 0.00000 2 2S 0.00000 0.00000 0.04809 0.00000 0.00000 3 3S 0.00000 0.00000 -0.12847 0.00000 0.00000 4 4S 0.00000 0.00000 -0.12263 0.00000 0.00000 5 5S 0.00000 0.00000 -0.95945 0.00000 0.00000 6 6S 0.00000 0.00000 3.59381 0.00000 0.00000 7 7PX 0.00000 -0.00668 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ -0.00668 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.02325 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.02325 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 -0.04050 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ -0.04050 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.75978 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.75978 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 -0.00561 -0.00421 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 -0.00312 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00421 -0.00561 23 11D-2 -0.00312 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 -0.01260 -0.00945 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 -0.01798 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00945 -0.01260 28 12D-2 -0.01798 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.04669 0.03501 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.08250 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 -0.03501 0.04669 33 13D-2 0.08250 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00380 -0.00380 0.02772 0.00000 0.00000 35 2S -0.00889 -0.00889 0.06107 0.00000 0.00000 36 3S 0.02405 0.02405 -0.09610 0.00000 0.00000 37 4S 0.13485 0.13485 -0.52366 0.00000 0.00000 38 5S 0.31867 0.31867 -1.90153 0.00000 0.00000 39 6PX -0.06201 0.11695 0.02813 -0.11198 0.04785 40 6PY -0.06201 -0.06201 0.02813 0.01455 -0.12091 41 6PZ 0.11695 -0.06201 0.02813 0.09743 0.07306 42 7PX -0.03182 0.35923 -0.05334 -0.27988 0.11959 43 7PY -0.03182 -0.03182 -0.05334 0.03637 -0.30218 44 7PZ 0.35923 -0.03182 -0.05334 0.24350 0.18259 45 8PX 0.58950 -0.07952 -0.47152 0.43972 -0.18788 46 8PY 0.58950 0.58950 -0.47152 -0.05715 0.47475 47 8PZ -0.07952 0.58950 -0.47152 -0.38257 -0.28687 48 9D 0 0.00977 -0.00489 0.00000 0.00349 0.00262 49 9D+1 -0.00395 -0.00395 0.01166 -0.00120 0.00993 50 9D-1 -0.00395 -0.00764 0.01166 0.00920 -0.00393 51 9D+2 0.00000 0.00846 0.00000 -0.00262 0.00349 52 9D-2 -0.00764 -0.00395 0.01166 -0.00800 -0.00600 53 3 C 1S -0.00380 0.00380 0.02772 0.00000 0.00000 54 2S -0.00889 0.00889 0.06107 0.00000 0.00000 55 3S 0.02405 -0.02405 -0.09610 0.00000 0.00000 56 4S 0.13485 -0.13485 -0.52366 0.00000 0.00000 57 5S 0.31867 -0.31867 -1.90153 0.00000 0.00000 58 6PX 0.06201 0.11695 -0.02813 0.11198 -0.04785 59 6PY 0.06201 -0.06201 -0.02813 -0.01455 0.12091 60 6PZ 0.11695 0.06201 0.02813 0.09743 0.07306 61 7PX 0.03182 0.35923 0.05334 0.27988 -0.11959 62 7PY 0.03182 -0.03182 0.05334 -0.03637 0.30218 63 7PZ 0.35923 0.03182 -0.05334 0.24350 0.18259 64 8PX -0.58950 -0.07952 0.47152 -0.43972 0.18788 65 8PY -0.58950 0.58950 0.47152 0.05715 -0.47475 66 8PZ -0.07952 -0.58950 -0.47152 -0.38257 -0.28687 67 9D 0 0.00977 0.00489 0.00000 0.00349 0.00262 68 9D+1 0.00395 -0.00395 -0.01166 0.00120 -0.00993 69 9D-1 0.00395 -0.00764 -0.01166 -0.00920 0.00393 70 9D+2 0.00000 -0.00846 0.00000 -0.00262 0.00349 71 9D-2 -0.00764 0.00395 0.01166 -0.00800 -0.00600 72 4 C 1S 0.00380 0.00380 0.02772 0.00000 0.00000 73 2S 0.00889 0.00889 0.06107 0.00000 0.00000 74 3S -0.02405 -0.02405 -0.09610 0.00000 0.00000 75 4S -0.13485 -0.13485 -0.52366 0.00000 0.00000 76 5S -0.31867 -0.31867 -1.90153 0.00000 0.00000 77 6PX -0.06201 0.11695 -0.02813 0.11198 -0.04785 78 6PY 0.06201 0.06201 0.02813 0.01455 -0.12091 79 6PZ 0.11695 -0.06201 -0.02813 -0.09743 -0.07306 80 7PX -0.03182 0.35923 0.05334 0.27988 -0.11959 81 7PY 0.03182 0.03182 -0.05334 0.03637 -0.30218 82 7PZ 0.35923 -0.03182 0.05334 -0.24350 -0.18259 83 8PX 0.58950 -0.07952 0.47152 -0.43972 0.18788 84 8PY -0.58950 -0.58950 -0.47152 -0.05715 0.47475 85 8PZ -0.07952 0.58950 0.47152 0.38257 0.28687 86 9D 0 -0.00977 0.00489 0.00000 0.00349 0.00262 87 9D+1 0.00395 0.00395 0.01166 -0.00120 0.00993 88 9D-1 -0.00395 -0.00764 -0.01166 -0.00920 0.00393 89 9D+2 0.00000 -0.00846 0.00000 -0.00262 0.00349 90 9D-2 -0.00764 -0.00395 -0.01166 0.00800 0.00600 91 5 C 1S 0.00380 -0.00380 0.02772 0.00000 0.00000 92 2S 0.00889 -0.00889 0.06107 0.00000 0.00000 93 3S -0.02405 0.02405 -0.09610 0.00000 0.00000 94 4S -0.13485 0.13485 -0.52366 0.00000 0.00000 95 5S -0.31867 0.31867 -1.90153 0.00000 0.00000 96 6PX 0.06201 0.11695 0.02813 -0.11198 0.04785 97 6PY -0.06201 0.06201 -0.02813 -0.01455 0.12091 98 6PZ 0.11695 0.06201 -0.02813 -0.09743 -0.07306 99 7PX 0.03182 0.35923 -0.05334 -0.27988 0.11959 100 7PY -0.03182 0.03182 0.05334 -0.03637 0.30218 101 7PZ 0.35923 0.03182 0.05334 -0.24350 -0.18259 102 8PX -0.58950 -0.07952 -0.47152 0.43972 -0.18788 103 8PY 0.58950 -0.58950 0.47152 0.05715 -0.47475 104 8PZ -0.07952 -0.58950 0.47152 0.38257 0.28687 105 9D 0 -0.00977 -0.00489 0.00000 0.00349 0.00262 106 9D+1 -0.00395 0.00395 -0.01166 0.00120 -0.00993 107 9D-1 0.00395 -0.00764 0.01166 0.00920 -0.00393 108 9D+2 0.00000 0.00846 0.00000 -0.00262 0.00349 109 9D-2 -0.00764 0.00395 -0.01166 0.00800 0.00600 110 6 O 1S 0.00992 0.00992 -0.01919 0.00000 0.00000 111 2S 0.02480 0.02480 -0.04887 0.00000 0.00000 112 3S -0.05261 -0.05261 0.11582 0.00000 0.00000 113 4S -0.01461 -0.01461 -0.03252 0.00000 0.00000 114 5S -0.71971 -0.71971 1.34870 0.00000 0.00000 115 6PX -0.00974 -0.00305 -0.01469 -0.01621 0.00693 116 6PY -0.00974 -0.00974 -0.01469 0.00211 -0.01750 117 6PZ -0.00305 -0.00974 -0.01469 0.01410 0.01057 118 7PX -0.00803 -0.00258 -0.00269 -0.02713 0.01159 119 7PY -0.00803 -0.00803 -0.00269 0.00353 -0.02930 120 7PZ -0.00258 -0.00803 -0.00269 0.02361 0.01770 121 8PX 0.15434 0.13838 -0.28815 0.05678 -0.02426 122 8PY 0.15434 0.15434 -0.28815 -0.00738 0.06131 123 8PZ 0.13838 0.15434 -0.28815 -0.04940 -0.03704 124 9D 0 -0.00710 0.00355 0.00000 -0.00688 -0.00516 125 9D+1 -0.00333 -0.00333 0.00056 0.00047 -0.00393 126 9D-1 -0.00333 0.00293 0.00056 -0.00364 0.00155 127 9D+2 0.00000 -0.00615 0.00000 0.00516 -0.00688 128 9D-2 0.00293 -0.00333 0.00056 0.00317 0.00237 129 7 O 1S -0.00992 -0.00992 -0.01919 0.00000 0.00000 130 2S -0.02480 -0.02480 -0.04887 0.00000 0.00000 131 3S 0.05261 0.05261 0.11582 0.00000 0.00000 132 4S 0.01461 0.01461 -0.03252 0.00000 0.00000 133 5S 0.71971 0.71971 1.34870 0.00000 0.00000 134 6PX -0.00974 -0.00305 0.01469 0.01621 -0.00693 135 6PY 0.00974 0.00974 -0.01469 0.00211 -0.01750 136 6PZ -0.00305 -0.00974 0.01469 -0.01410 -0.01057 137 7PX -0.00803 -0.00258 0.00269 0.02713 -0.01159 138 7PY 0.00803 0.00803 -0.00269 0.00353 -0.02930 139 7PZ -0.00258 -0.00803 0.00269 -0.02361 -0.01770 140 8PX 0.15434 0.13838 0.28815 -0.05678 0.02426 141 8PY -0.15434 -0.15434 -0.28815 -0.00738 0.06131 142 8PZ 0.13838 0.15434 0.28815 0.04940 0.03704 143 9D 0 0.00710 -0.00355 0.00000 -0.00688 -0.00516 144 9D+1 0.00333 0.00333 0.00056 0.00047 -0.00393 145 9D-1 -0.00333 0.00293 -0.00056 0.00364 -0.00155 146 9D+2 0.00000 0.00615 0.00000 0.00516 -0.00688 147 9D-2 0.00293 -0.00333 -0.00056 -0.00317 -0.00237 148 8 O 1S -0.00992 0.00992 -0.01919 0.00000 0.00000 149 2S -0.02480 0.02480 -0.04887 0.00000 0.00000 150 3S 0.05261 -0.05261 0.11582 0.00000 0.00000 151 4S 0.01461 -0.01461 -0.03252 0.00000 0.00000 152 5S 0.71971 -0.71971 1.34870 0.00000 0.00000 153 6PX 0.00974 -0.00305 -0.01469 -0.01621 0.00693 154 6PY -0.00974 0.00974 0.01469 -0.00211 0.01750 155 6PZ -0.00305 0.00974 0.01469 -0.01410 -0.01057 156 7PX 0.00803 -0.00258 -0.00269 -0.02713 0.01159 157 7PY -0.00803 0.00803 0.00269 -0.00353 0.02930 158 7PZ -0.00258 0.00803 0.00269 -0.02361 -0.01770 159 8PX -0.15434 0.13838 -0.28815 0.05678 -0.02426 160 8PY 0.15434 -0.15434 0.28815 0.00738 -0.06131 161 8PZ 0.13838 -0.15434 0.28815 0.04940 0.03704 162 9D 0 0.00710 0.00355 0.00000 -0.00688 -0.00516 163 9D+1 -0.00333 0.00333 -0.00056 -0.00047 0.00393 164 9D-1 0.00333 0.00293 0.00056 -0.00364 0.00155 165 9D+2 0.00000 -0.00615 0.00000 0.00516 -0.00688 166 9D-2 0.00293 0.00333 -0.00056 -0.00317 -0.00237 167 9 O 1S 0.00992 -0.00992 -0.01919 0.00000 0.00000 168 2S 0.02480 -0.02480 -0.04887 0.00000 0.00000 169 3S -0.05261 0.05261 0.11582 0.00000 0.00000 170 4S -0.01461 0.01461 -0.03252 0.00000 0.00000 171 5S -0.71971 0.71971 1.34870 0.00000 0.00000 172 6PX 0.00974 -0.00305 0.01469 0.01621 -0.00693 173 6PY 0.00974 -0.00974 0.01469 -0.00211 0.01750 174 6PZ -0.00305 0.00974 -0.01469 0.01410 0.01057 175 7PX 0.00803 -0.00258 0.00269 0.02713 -0.01159 176 7PY 0.00803 -0.00803 0.00269 -0.00353 0.02930 177 7PZ -0.00258 0.00803 -0.00269 0.02361 0.01770 178 8PX -0.15434 0.13838 0.28815 -0.05678 0.02426 179 8PY -0.15434 0.15434 0.28815 0.00738 -0.06131 180 8PZ 0.13838 -0.15434 -0.28815 -0.04940 -0.03704 181 9D 0 -0.00710 -0.00355 0.00000 -0.00688 -0.00516 182 9D+1 0.00333 -0.00333 -0.00056 -0.00047 0.00393 183 9D-1 0.00333 0.00293 -0.00056 0.00364 -0.00155 184 9D+2 0.00000 0.00615 0.00000 0.00516 -0.00688 185 9D-2 0.00293 0.00333 0.00056 0.00317 0.00237 61 62 63 64 65 (T1)--V (T1)--V (T1)--V (A1)--V (T2)--V Eigenvalues -- 0.28807 0.28807 0.28807 0.29782 0.31609 1 1 Ni 1S 0.00000 0.00000 0.00000 -0.02152 0.00000 2 2S 0.00000 0.00000 0.00000 0.08566 0.00000 3 3S 0.00000 0.00000 0.00000 -0.13711 0.00000 4 4S 0.00000 0.00000 0.00000 -0.39980 0.00000 5 5S 0.00000 0.00000 0.00000 3.78873 0.00000 6 6S 0.00000 0.00000 0.00000 4.60023 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.02960 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 -0.08088 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.04935 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 1.76698 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00536 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.01032 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.07745 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00091 -0.01345 35 2S 0.00000 0.00000 0.00000 0.00681 -0.02307 36 3S 0.00000 0.00000 0.00000 -0.09175 -0.09866 37 4S 0.00000 0.00000 0.00000 0.88443 1.53742 38 5S 0.00000 0.00000 0.00000 -2.52815 -1.63249 39 6PX -0.06014 -0.06014 0.00000 -0.01554 -0.02963 40 6PY 0.00000 0.06014 -0.06014 -0.01554 -0.00224 41 6PZ 0.06014 0.00000 0.06014 -0.01554 -0.00224 42 7PX -0.25274 -0.25274 0.00000 0.01858 -0.00508 43 7PY 0.00000 0.25274 -0.25274 0.01858 0.16937 44 7PZ 0.25274 0.00000 0.25274 0.01858 0.16937 45 8PX 0.66502 0.66502 0.00000 0.67148 1.27334 46 8PY 0.00000 -0.66502 0.66502 0.67148 0.85662 47 8PZ -0.66502 0.00000 -0.66502 0.67148 0.85662 48 9D 0 0.00894 0.00000 0.00894 0.00000 0.00562 49 9D+1 0.00000 -0.00025 0.00025 0.02213 0.02168 50 9D-1 0.00025 0.00025 0.00000 0.02213 0.01007 51 9D+2 -0.00516 -0.01033 0.00516 0.00000 -0.00973 52 9D-2 -0.00025 0.00000 -0.00025 0.02213 0.02168 53 3 C 1S 0.00000 0.00000 0.00000 0.00091 0.01345 54 2S 0.00000 0.00000 0.00000 0.00681 0.02307 55 3S 0.00000 0.00000 0.00000 -0.09175 0.09866 56 4S 0.00000 0.00000 0.00000 0.88443 -1.53742 57 5S 0.00000 0.00000 0.00000 -2.52815 1.63249 58 6PX -0.06014 0.06014 0.00000 0.01554 -0.02963 59 6PY 0.00000 -0.06014 -0.06014 0.01554 -0.00224 60 6PZ -0.06014 0.00000 -0.06014 -0.01554 0.00224 61 7PX -0.25274 0.25274 0.00000 -0.01858 -0.00508 62 7PY 0.00000 -0.25274 -0.25274 -0.01858 0.16937 63 7PZ -0.25274 0.00000 -0.25274 0.01858 -0.16937 64 8PX 0.66502 -0.66502 0.00000 -0.67148 1.27334 65 8PY 0.00000 0.66502 0.66502 -0.67148 0.85662 66 8PZ 0.66502 0.00000 0.66502 0.67148 -0.85662 67 9D 0 -0.00894 0.00000 -0.00894 0.00000 -0.00562 68 9D+1 0.00000 0.00025 0.00025 -0.02213 0.02168 69 9D-1 0.00025 -0.00025 0.00000 -0.02213 0.01007 70 9D+2 0.00516 -0.01033 -0.00516 0.00000 0.00973 71 9D-2 0.00025 0.00000 0.00025 0.02213 -0.02168 72 4 C 1S 0.00000 0.00000 0.00000 0.00091 0.01345 73 2S 0.00000 0.00000 0.00000 0.00681 0.02307 74 3S 0.00000 0.00000 0.00000 -0.09175 0.09866 75 4S 0.00000 0.00000 0.00000 0.88443 -1.53742 76 5S 0.00000 0.00000 0.00000 -2.52815 1.63249 77 6PX 0.06014 -0.06014 0.00000 0.01554 -0.02963 78 6PY 0.00000 -0.06014 0.06014 -0.01554 0.00224 79 6PZ -0.06014 0.00000 0.06014 0.01554 -0.00224 80 7PX 0.25274 -0.25274 0.00000 -0.01858 -0.00508 81 7PY 0.00000 -0.25274 0.25274 0.01858 -0.16937 82 7PZ -0.25274 0.00000 0.25274 -0.01858 0.16937 83 8PX -0.66502 0.66502 0.00000 -0.67148 1.27334 84 8PY 0.00000 0.66502 -0.66502 0.67148 -0.85662 85 8PZ 0.66502 0.00000 -0.66502 -0.67148 0.85662 86 9D 0 0.00894 0.00000 -0.00894 0.00000 -0.00562 87 9D+1 0.00000 0.00025 -0.00025 0.02213 -0.02168 88 9D-1 -0.00025 0.00025 0.00000 -0.02213 0.01007 89 9D+2 -0.00516 0.01033 -0.00516 0.00000 0.00973 90 9D-2 0.00025 0.00000 -0.00025 -0.02213 0.02168 91 5 C 1S 0.00000 0.00000 0.00000 0.00091 -0.01345 92 2S 0.00000 0.00000 0.00000 0.00681 -0.02307 93 3S 0.00000 0.00000 0.00000 -0.09175 -0.09866 94 4S 0.00000 0.00000 0.00000 0.88443 1.53742 95 5S 0.00000 0.00000 0.00000 -2.52815 -1.63249 96 6PX 0.06014 0.06014 0.00000 -0.01554 -0.02963 97 6PY 0.00000 0.06014 0.06014 0.01554 0.00224 98 6PZ 0.06014 0.00000 -0.06014 0.01554 0.00224 99 7PX 0.25274 0.25274 0.00000 0.01858 -0.00508 100 7PY 0.00000 0.25274 0.25274 -0.01858 -0.16937 101 7PZ 0.25274 0.00000 -0.25274 -0.01858 -0.16937 102 8PX -0.66502 -0.66502 0.00000 0.67148 1.27334 103 8PY 0.00000 -0.66502 -0.66502 -0.67148 -0.85662 104 8PZ -0.66502 0.00000 0.66502 -0.67148 -0.85662 105 9D 0 -0.00894 0.00000 0.00894 0.00000 0.00562 106 9D+1 0.00000 -0.00025 -0.00025 -0.02213 -0.02168 107 9D-1 -0.00025 -0.00025 0.00000 0.02213 0.01007 108 9D+2 0.00516 0.01033 0.00516 0.00000 -0.00973 109 9D-2 -0.00025 0.00000 0.00025 -0.02213 -0.02168 110 6 O 1S 0.00000 0.00000 0.00000 -0.00368 0.00302 111 2S 0.00000 0.00000 0.00000 -0.00813 0.00847 112 3S 0.00000 0.00000 0.00000 0.00079 -0.02999 113 4S 0.00000 0.00000 0.00000 0.13456 0.11324 114 5S 0.00000 0.00000 0.00000 -0.58251 -1.34526 115 6PX -0.05680 -0.05680 0.00000 -0.05763 -0.05534 116 6PY 0.00000 0.05680 -0.05680 -0.05763 -0.03629 117 6PZ 0.05680 0.00000 0.05680 -0.05763 -0.03629 118 7PX -0.07223 -0.07223 0.00000 -0.06657 -0.04094 119 7PY 0.00000 0.07223 -0.07223 -0.06657 -0.02565 120 7PZ 0.07223 0.00000 0.07223 -0.06657 -0.02565 121 8PX 0.03393 0.03393 0.00000 0.18829 0.36712 122 8PY 0.00000 -0.03393 0.03393 0.18829 0.38006 123 8PZ -0.03393 0.00000 -0.03393 0.18829 0.38006 124 9D 0 -0.00496 0.00000 -0.00496 0.00000 -0.00044 125 9D+1 0.00000 0.00366 -0.00366 0.00023 0.00223 126 9D-1 -0.00366 -0.00366 0.00000 0.00023 -0.00133 127 9D+2 0.00286 0.00573 -0.00286 0.00000 0.00076 128 9D-2 0.00366 0.00000 0.00366 0.00023 0.00223 129 7 O 1S 0.00000 0.00000 0.00000 -0.00368 -0.00302 130 2S 0.00000 0.00000 0.00000 -0.00813 -0.00847 131 3S 0.00000 0.00000 0.00000 0.00079 0.02999 132 4S 0.00000 0.00000 0.00000 0.13456 -0.11324 133 5S 0.00000 0.00000 0.00000 -0.58251 1.34526 134 6PX 0.05680 -0.05680 0.00000 0.05763 -0.05534 135 6PY 0.00000 -0.05680 0.05680 -0.05763 0.03629 136 6PZ -0.05680 0.00000 0.05680 0.05763 -0.03629 137 7PX 0.07223 -0.07223 0.00000 0.06657 -0.04094 138 7PY 0.00000 -0.07223 0.07223 -0.06657 0.02565 139 7PZ -0.07223 0.00000 0.07223 0.06657 -0.02565 140 8PX -0.03393 0.03393 0.00000 -0.18829 0.36712 141 8PY 0.00000 0.03393 -0.03393 0.18829 -0.38006 142 8PZ 0.03393 0.00000 -0.03393 -0.18829 0.38006 143 9D 0 -0.00496 0.00000 0.00496 0.00000 0.00044 144 9D+1 0.00000 -0.00366 0.00366 0.00023 -0.00223 145 9D-1 0.00366 -0.00366 0.00000 -0.00023 -0.00133 146 9D+2 0.00286 -0.00573 0.00286 0.00000 -0.00076 147 9D-2 -0.00366 0.00000 0.00366 -0.00023 0.00223 148 8 O 1S 0.00000 0.00000 0.00000 -0.00368 0.00302 149 2S 0.00000 0.00000 0.00000 -0.00813 0.00847 150 3S 0.00000 0.00000 0.00000 0.00079 -0.02999 151 4S 0.00000 0.00000 0.00000 0.13456 0.11324 152 5S 0.00000 0.00000 0.00000 -0.58251 -1.34526 153 6PX 0.05680 0.05680 0.00000 -0.05763 -0.05534 154 6PY 0.00000 0.05680 0.05680 0.05763 0.03629 155 6PZ 0.05680 0.00000 -0.05680 0.05763 0.03629 156 7PX 0.07223 0.07223 0.00000 -0.06657 -0.04094 157 7PY 0.00000 0.07223 0.07223 0.06657 0.02565 158 7PZ 0.07223 0.00000 -0.07223 0.06657 0.02565 159 8PX -0.03393 -0.03393 0.00000 0.18829 0.36712 160 8PY 0.00000 -0.03393 -0.03393 -0.18829 -0.38006 161 8PZ -0.03393 0.00000 0.03393 -0.18829 -0.38006 162 9D 0 0.00496 0.00000 -0.00496 0.00000 -0.00044 163 9D+1 0.00000 0.00366 0.00366 -0.00023 -0.00223 164 9D-1 0.00366 0.00366 0.00000 0.00023 -0.00133 165 9D+2 -0.00286 -0.00573 -0.00286 0.00000 0.00076 166 9D-2 0.00366 0.00000 -0.00366 -0.00023 -0.00223 167 9 O 1S 0.00000 0.00000 0.00000 -0.00368 -0.00302 168 2S 0.00000 0.00000 0.00000 -0.00813 -0.00847 169 3S 0.00000 0.00000 0.00000 0.00079 0.02999 170 4S 0.00000 0.00000 0.00000 0.13456 -0.11324 171 5S 0.00000 0.00000 0.00000 -0.58251 1.34526 172 6PX -0.05680 0.05680 0.00000 0.05763 -0.05534 173 6PY 0.00000 -0.05680 -0.05680 0.05763 -0.03629 174 6PZ -0.05680 0.00000 -0.05680 -0.05763 0.03629 175 7PX -0.07223 0.07223 0.00000 0.06657 -0.04094 176 7PY 0.00000 -0.07223 -0.07223 0.06657 -0.02565 177 7PZ -0.07223 0.00000 -0.07223 -0.06657 0.02565 178 8PX 0.03393 -0.03393 0.00000 -0.18829 0.36712 179 8PY 0.00000 0.03393 0.03393 -0.18829 0.38006 180 8PZ 0.03393 0.00000 0.03393 0.18829 -0.38006 181 9D 0 0.00496 0.00000 0.00496 0.00000 0.00044 182 9D+1 0.00000 -0.00366 -0.00366 -0.00023 0.00223 183 9D-1 -0.00366 0.00366 0.00000 -0.00023 -0.00133 184 9D+2 -0.00286 0.00573 0.00286 0.00000 -0.00076 185 9D-2 -0.00366 0.00000 -0.00366 0.00023 -0.00223 66 67 68 69 70 (T2)--V (T2)--V (A1)--V (T2)--V (T2)--V Eigenvalues -- 0.31609 0.31609 0.33143 0.38611 0.38611 1 1 Ni 1S 0.00000 0.00000 0.01638 0.00000 0.00000 2 2S 0.00000 0.00000 -0.06029 0.00000 0.00000 3 3S 0.00000 0.00000 0.11287 0.00000 0.00000 4 4S 0.00000 0.00000 0.25205 0.00000 0.00000 5 5S 0.00000 0.00000 -0.79417 0.00000 0.00000 6 6S 0.00000 0.00000 6.49632 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.07679 0.00000 8 7PY 0.00000 0.02960 0.00000 0.00000 0.07679 9 7PZ 0.02960 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.21329 0.00000 11 8PY 0.00000 -0.08088 0.00000 0.00000 -0.21329 12 8PZ -0.08088 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 -0.10985 0.00000 14 9PY 0.00000 -0.04935 0.00000 0.00000 -0.10985 15 9PZ -0.04935 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 1.92250 0.00000 17 10PY 0.00000 1.76698 0.00000 0.00000 1.92250 18 10PZ 1.76698 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 -0.00536 0.00000 0.00000 0.12152 21 11D-1 0.00000 0.00000 0.00000 0.12152 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 -0.00536 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.01032 0.00000 0.00000 0.06294 26 12D-1 0.00000 0.00000 0.00000 0.06294 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -0.01032 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.07745 0.00000 0.00000 0.05070 31 13D-1 0.00000 0.00000 0.00000 0.05070 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.07745 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.01345 -0.01345 -0.03175 0.02499 0.02499 35 2S -0.02307 -0.02307 -0.06780 0.05230 0.05230 36 3S -0.09866 -0.09866 0.03871 -0.01390 -0.01390 37 4S 1.53742 1.53742 0.81624 -0.78262 -0.78262 38 5S -1.63249 -1.63249 -3.64210 0.14151 0.14151 39 6PX -0.00224 -0.00224 -0.05533 -0.08800 0.04951 40 6PY -0.00224 -0.02963 -0.05533 0.04951 -0.08800 41 6PZ -0.02963 -0.00224 -0.05533 0.04951 0.04951 42 7PX 0.16937 0.16937 -0.14470 -0.00601 0.09822 43 7PY 0.16937 -0.00508 -0.14470 0.09822 -0.00601 44 7PZ -0.00508 0.16937 -0.14470 0.09822 0.09822 45 8PX 0.85662 0.85662 -0.00336 -0.00182 0.26016 46 8PY 0.85662 1.27334 -0.00336 0.26016 -0.00182 47 8PZ 1.27334 0.85662 -0.00336 0.26016 0.26016 48 9D 0 -0.01123 0.00562 0.00000 0.00927 0.00927 49 9D+1 0.02168 0.01007 0.00090 0.00544 0.01875 50 9D-1 0.02168 0.02168 0.00090 0.01875 0.00544 51 9D+2 0.00000 0.00973 0.00000 -0.01605 0.01605 52 9D-2 0.01007 0.02168 0.00090 0.00544 0.00544 53 3 C 1S -0.01345 0.01345 -0.03175 -0.02499 -0.02499 54 2S -0.02307 0.02307 -0.06780 -0.05230 -0.05230 55 3S -0.09866 0.09866 0.03871 0.01390 0.01390 56 4S 1.53742 -1.53742 0.81624 0.78262 0.78262 57 5S -1.63249 1.63249 -3.64210 -0.14151 -0.14151 58 6PX 0.00224 -0.00224 0.05533 -0.08800 0.04951 59 6PY 0.00224 -0.02963 0.05533 0.04951 -0.08800 60 6PZ -0.02963 0.00224 -0.05533 -0.04951 -0.04951 61 7PX -0.16937 0.16937 0.14470 -0.00601 0.09822 62 7PY -0.16937 -0.00508 0.14470 0.09822 -0.00601 63 7PZ -0.00508 -0.16937 -0.14470 -0.09822 -0.09822 64 8PX -0.85662 0.85662 0.00336 -0.00182 0.26016 65 8PY -0.85662 1.27334 0.00336 0.26016 -0.00182 66 8PZ 1.27334 -0.85662 -0.00336 -0.26016 -0.26016 67 9D 0 -0.01123 -0.00562 0.00000 -0.00927 -0.00927 68 9D+1 -0.02168 0.01007 -0.00090 0.00544 0.01875 69 9D-1 -0.02168 0.02168 -0.00090 0.01875 0.00544 70 9D+2 0.00000 -0.00973 0.00000 0.01605 -0.01605 71 9D-2 0.01007 -0.02168 0.00090 -0.00544 -0.00544 72 4 C 1S 0.01345 -0.01345 -0.03175 -0.02499 0.02499 73 2S 0.02307 -0.02307 -0.06780 -0.05230 0.05230 74 3S 0.09866 -0.09866 0.03871 0.01390 -0.01390 75 4S -1.53742 1.53742 0.81624 0.78262 -0.78262 76 5S 1.63249 -1.63249 -3.64210 -0.14151 0.14151 77 6PX -0.00224 0.00224 0.05533 -0.08800 -0.04951 78 6PY 0.00224 -0.02963 -0.05533 -0.04951 -0.08800 79 6PZ -0.02963 0.00224 0.05533 0.04951 -0.04951 80 7PX 0.16937 -0.16937 0.14470 -0.00601 -0.09822 81 7PY -0.16937 -0.00508 -0.14470 -0.09822 -0.00601 82 7PZ -0.00508 -0.16937 0.14470 0.09822 -0.09822 83 8PX 0.85662 -0.85662 0.00336 -0.00182 -0.26016 84 8PY -0.85662 1.27334 -0.00336 -0.26016 -0.00182 85 8PZ 1.27334 -0.85662 0.00336 0.26016 -0.26016 86 9D 0 0.01123 0.00562 0.00000 -0.00927 0.00927 87 9D+1 -0.02168 0.01007 0.00090 -0.00544 0.01875 88 9D-1 0.02168 -0.02168 -0.00090 0.01875 -0.00544 89 9D+2 0.00000 0.00973 0.00000 0.01605 0.01605 90 9D-2 0.01007 -0.02168 -0.00090 0.00544 -0.00544 91 5 C 1S 0.01345 0.01345 -0.03175 0.02499 -0.02499 92 2S 0.02307 0.02307 -0.06780 0.05230 -0.05230 93 3S 0.09866 0.09866 0.03871 -0.01390 0.01390 94 4S -1.53742 -1.53742 0.81624 -0.78262 0.78262 95 5S 1.63249 1.63249 -3.64210 0.14151 -0.14151 96 6PX 0.00224 0.00224 -0.05533 -0.08800 -0.04951 97 6PY -0.00224 -0.02963 0.05533 -0.04951 -0.08800 98 6PZ -0.02963 -0.00224 0.05533 -0.04951 0.04951 99 7PX -0.16937 -0.16937 -0.14470 -0.00601 -0.09822 100 7PY 0.16937 -0.00508 0.14470 -0.09822 -0.00601 101 7PZ -0.00508 0.16937 0.14470 -0.09822 0.09822 102 8PX -0.85662 -0.85662 -0.00336 -0.00182 -0.26016 103 8PY 0.85662 1.27334 0.00336 -0.26016 -0.00182 104 8PZ 1.27334 0.85662 0.00336 -0.26016 0.26016 105 9D 0 0.01123 -0.00562 0.00000 0.00927 -0.00927 106 9D+1 0.02168 0.01007 -0.00090 -0.00544 0.01875 107 9D-1 -0.02168 -0.02168 0.00090 0.01875 -0.00544 108 9D+2 0.00000 -0.00973 0.00000 -0.01605 -0.01605 109 9D-2 0.01007 0.02168 -0.00090 -0.00544 0.00544 110 6 O 1S 0.00302 0.00302 -0.00516 -0.00745 -0.00745 111 2S 0.00847 0.00847 -0.01452 -0.01756 -0.01756 112 3S -0.02999 -0.02999 0.05938 0.01875 0.01875 113 4S 0.11324 0.11324 -0.17767 0.14057 0.14057 114 5S -1.34526 -1.34526 1.11930 -0.19479 -0.19479 115 6PX -0.03629 -0.03629 0.04251 0.04528 -0.08062 116 6PY -0.03629 -0.05534 0.04251 -0.08062 0.04528 117 6PZ -0.05534 -0.03629 0.04251 -0.08062 -0.08062 118 7PX -0.02565 -0.02565 0.08118 0.08945 -0.09993 119 7PY -0.02565 -0.04094 0.08118 -0.09993 0.08945 120 7PZ -0.04094 -0.02565 0.08118 -0.09993 -0.09993 121 8PX 0.38006 0.38006 -0.31721 -0.15695 0.00105 122 8PY 0.38006 0.36712 -0.31721 0.00105 -0.15695 123 8PZ 0.36712 0.38006 -0.31721 0.00105 0.00105 124 9D 0 0.00087 -0.00044 0.00000 -0.00253 -0.00253 125 9D+1 0.00223 -0.00133 -0.00068 -0.00200 -0.00647 126 9D-1 0.00223 0.00223 -0.00068 -0.00647 -0.00200 127 9D+2 0.00000 -0.00076 0.00000 0.00438 -0.00438 128 9D-2 -0.00133 0.00223 -0.00068 -0.00200 -0.00200 129 7 O 1S -0.00302 0.00302 -0.00516 0.00745 -0.00745 130 2S -0.00847 0.00847 -0.01452 0.01756 -0.01756 131 3S 0.02999 -0.02999 0.05938 -0.01875 0.01875 132 4S -0.11324 0.11324 -0.17767 -0.14057 0.14057 133 5S 1.34526 -1.34526 1.11930 0.19479 -0.19479 134 6PX -0.03629 0.03629 -0.04251 0.04528 0.08062 135 6PY 0.03629 -0.05534 0.04251 0.08062 0.04528 136 6PZ -0.05534 0.03629 -0.04251 -0.08062 0.08062 137 7PX -0.02565 0.02565 -0.08118 0.08945 0.09993 138 7PY 0.02565 -0.04094 0.08118 0.09993 0.08945 139 7PZ -0.04094 0.02565 -0.08118 -0.09993 0.09993 140 8PX 0.38006 -0.38006 0.31721 -0.15695 -0.00105 141 8PY -0.38006 0.36712 -0.31721 -0.00105 -0.15695 142 8PZ 0.36712 -0.38006 0.31721 0.00105 -0.00105 143 9D 0 -0.00087 -0.00044 0.00000 0.00253 -0.00253 144 9D+1 -0.00223 -0.00133 -0.00068 0.00200 -0.00647 145 9D-1 0.00223 -0.00223 0.00068 -0.00647 0.00200 146 9D+2 0.00000 -0.00076 0.00000 -0.00438 -0.00438 147 9D-2 -0.00133 -0.00223 0.00068 -0.00200 0.00200 148 8 O 1S -0.00302 -0.00302 -0.00516 -0.00745 0.00745 149 2S -0.00847 -0.00847 -0.01452 -0.01756 0.01756 150 3S 0.02999 0.02999 0.05938 0.01875 -0.01875 151 4S -0.11324 -0.11324 -0.17767 0.14057 -0.14057 152 5S 1.34526 1.34526 1.11930 -0.19479 0.19479 153 6PX 0.03629 0.03629 0.04251 0.04528 0.08062 154 6PY -0.03629 -0.05534 -0.04251 0.08062 0.04528 155 6PZ -0.05534 -0.03629 -0.04251 0.08062 -0.08062 156 7PX 0.02565 0.02565 0.08118 0.08945 0.09993 157 7PY -0.02565 -0.04094 -0.08118 0.09993 0.08945 158 7PZ -0.04094 -0.02565 -0.08118 0.09993 -0.09993 159 8PX -0.38006 -0.38006 -0.31721 -0.15695 -0.00105 160 8PY 0.38006 0.36712 0.31721 -0.00105 -0.15695 161 8PZ 0.36712 0.38006 0.31721 -0.00105 0.00105 162 9D 0 -0.00087 0.00044 0.00000 -0.00253 0.00253 163 9D+1 0.00223 -0.00133 0.00068 0.00200 -0.00647 164 9D-1 -0.00223 -0.00223 -0.00068 -0.00647 0.00200 165 9D+2 0.00000 0.00076 0.00000 0.00438 0.00438 166 9D-2 -0.00133 0.00223 0.00068 0.00200 -0.00200 167 9 O 1S 0.00302 -0.00302 -0.00516 0.00745 0.00745 168 2S 0.00847 -0.00847 -0.01452 0.01756 0.01756 169 3S -0.02999 0.02999 0.05938 -0.01875 -0.01875 170 4S 0.11324 -0.11324 -0.17767 -0.14057 -0.14057 171 5S -1.34526 1.34526 1.11930 0.19479 0.19479 172 6PX 0.03629 -0.03629 -0.04251 0.04528 -0.08062 173 6PY 0.03629 -0.05534 -0.04251 -0.08062 0.04528 174 6PZ -0.05534 0.03629 0.04251 0.08062 0.08062 175 7PX 0.02565 -0.02565 -0.08118 0.08945 -0.09993 176 7PY 0.02565 -0.04094 -0.08118 -0.09993 0.08945 177 7PZ -0.04094 0.02565 0.08118 0.09993 0.09993 178 8PX -0.38006 0.38006 0.31721 -0.15695 0.00105 179 8PY -0.38006 0.36712 0.31721 0.00105 -0.15695 180 8PZ 0.36712 -0.38006 -0.31721 -0.00105 -0.00105 181 9D 0 0.00087 0.00044 0.00000 0.00253 0.00253 182 9D+1 -0.00223 -0.00133 0.00068 -0.00200 -0.00647 183 9D-1 -0.00223 0.00223 0.00068 -0.00647 -0.00200 184 9D+2 0.00000 0.00076 0.00000 -0.00438 0.00438 185 9D-2 -0.00133 -0.00223 -0.00068 0.00200 0.00200 71 72 73 74 75 (T2)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 0.38611 0.45144 0.47537 0.47537 0.47537 1 1 Ni 1S 0.00000 -0.01155 0.00000 0.00000 0.00000 2 2S 0.00000 0.04256 0.00000 0.00000 0.00000 3 3S 0.00000 -0.07992 0.00000 0.00000 0.00000 4 4S 0.00000 -0.18659 0.00000 0.00000 0.00000 5 5S 0.00000 2.45280 0.00000 0.00000 0.00000 6 6S 0.00000 -1.87930 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.02335 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.02335 0.00000 9 7PZ 0.07679 0.00000 0.00000 0.00000 0.02335 10 8PX 0.00000 0.00000 -0.06570 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.06570 0.00000 12 8PZ -0.21329 0.00000 0.00000 0.00000 -0.06570 13 9PX 0.00000 0.00000 -0.02466 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.02466 0.00000 15 9PZ -0.10985 0.00000 0.00000 0.00000 -0.02466 16 10PX 0.00000 0.00000 1.51994 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 1.51994 0.00000 18 10PZ 1.92250 0.00000 0.00000 0.00000 1.51994 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.04615 0.00000 21 11D-1 0.00000 0.00000 -0.04615 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.12152 0.00000 0.00000 0.00000 -0.04615 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.02280 0.00000 26 12D-1 0.00000 0.00000 -0.02280 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.06294 0.00000 0.00000 0.00000 -0.02280 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00103 0.00000 31 13D-1 0.00000 0.00000 0.00103 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.05070 0.00000 0.00000 0.00000 0.00103 34 2 C 1S 0.02499 0.01856 0.00778 0.00778 0.00778 35 2S 0.05230 0.03753 0.01731 0.01731 0.01731 36 3S -0.01390 0.05652 -0.00016 -0.00016 -0.00016 37 4S -0.78262 -1.47142 -0.54373 -0.54373 -0.54373 38 5S 0.14151 0.84633 -1.33419 -1.33419 -1.33419 39 6PX 0.04951 -0.05574 -0.04205 -0.09259 -0.09259 40 6PY 0.04951 -0.05574 -0.09259 -0.04205 -0.09259 41 6PZ -0.08800 -0.05574 -0.09259 -0.09259 -0.04205 42 7PX 0.09822 -0.31508 -0.39406 -0.32283 -0.32283 43 7PY 0.09822 -0.31508 -0.32283 -0.39406 -0.32283 44 7PZ -0.00601 -0.31508 -0.32283 -0.32283 -0.39406 45 8PX 0.26016 0.49206 1.17659 0.99643 0.99643 46 8PY 0.26016 0.49206 0.99643 1.17659 0.99643 47 8PZ -0.00182 0.49206 0.99643 0.99643 1.17659 48 9D 0 -0.01854 0.00000 0.00472 0.00472 -0.00945 49 9D+1 0.00544 -0.00436 0.00911 -0.00908 0.00911 50 9D-1 0.00544 -0.00436 -0.00908 0.00911 0.00911 51 9D+2 0.00000 0.00000 -0.00818 0.00818 0.00000 52 9D-2 0.01875 -0.00436 0.00911 0.00911 -0.00908 53 3 C 1S 0.02499 0.01856 -0.00778 -0.00778 0.00778 54 2S 0.05230 0.03753 -0.01731 -0.01731 0.01731 55 3S -0.01390 0.05652 0.00016 0.00016 -0.00016 56 4S -0.78262 -1.47142 0.54373 0.54373 -0.54373 57 5S 0.14151 0.84633 1.33419 1.33419 -1.33419 58 6PX -0.04951 0.05574 -0.04205 -0.09259 0.09259 59 6PY -0.04951 0.05574 -0.09259 -0.04205 0.09259 60 6PZ -0.08800 -0.05574 0.09259 0.09259 -0.04205 61 7PX -0.09822 0.31508 -0.39406 -0.32283 0.32283 62 7PY -0.09822 0.31508 -0.32283 -0.39406 0.32283 63 7PZ -0.00601 -0.31508 0.32283 0.32283 -0.39406 64 8PX -0.26016 -0.49206 1.17659 0.99643 -0.99643 65 8PY -0.26016 -0.49206 0.99643 1.17659 -0.99643 66 8PZ -0.00182 0.49206 -0.99643 -0.99643 1.17659 67 9D 0 -0.01854 0.00000 -0.00472 -0.00472 -0.00945 68 9D+1 -0.00544 0.00436 0.00911 -0.00908 -0.00911 69 9D-1 -0.00544 0.00436 -0.00908 0.00911 -0.00911 70 9D+2 0.00000 0.00000 0.00818 -0.00818 0.00000 71 9D-2 0.01875 -0.00436 -0.00911 -0.00911 -0.00908 72 4 C 1S -0.02499 0.01856 -0.00778 0.00778 -0.00778 73 2S -0.05230 0.03753 -0.01731 0.01731 -0.01731 74 3S 0.01390 0.05652 0.00016 -0.00016 0.00016 75 4S 0.78262 -1.47142 0.54373 -0.54373 0.54373 76 5S -0.14151 0.84633 1.33419 -1.33419 1.33419 77 6PX 0.04951 0.05574 -0.04205 0.09259 -0.09259 78 6PY -0.04951 -0.05574 0.09259 -0.04205 0.09259 79 6PZ -0.08800 0.05574 -0.09259 0.09259 -0.04205 80 7PX 0.09822 0.31508 -0.39406 0.32283 -0.32283 81 7PY -0.09822 -0.31508 0.32283 -0.39406 0.32283 82 7PZ -0.00601 0.31508 -0.32283 0.32283 -0.39406 83 8PX 0.26016 -0.49206 1.17659 -0.99643 0.99643 84 8PY -0.26016 0.49206 -0.99643 1.17659 -0.99643 85 8PZ -0.00182 -0.49206 0.99643 -0.99643 1.17659 86 9D 0 0.01854 0.00000 -0.00472 0.00472 0.00945 87 9D+1 -0.00544 -0.00436 -0.00911 -0.00908 -0.00911 88 9D-1 0.00544 0.00436 -0.00908 -0.00911 0.00911 89 9D+2 0.00000 0.00000 0.00818 0.00818 0.00000 90 9D-2 0.01875 0.00436 0.00911 -0.00911 -0.00908 91 5 C 1S -0.02499 0.01856 0.00778 -0.00778 -0.00778 92 2S -0.05230 0.03753 0.01731 -0.01731 -0.01731 93 3S 0.01390 0.05652 -0.00016 0.00016 0.00016 94 4S 0.78262 -1.47142 -0.54373 0.54373 0.54373 95 5S -0.14151 0.84633 -1.33419 1.33419 1.33419 96 6PX -0.04951 -0.05574 -0.04205 0.09259 0.09259 97 6PY 0.04951 0.05574 0.09259 -0.04205 -0.09259 98 6PZ -0.08800 0.05574 0.09259 -0.09259 -0.04205 99 7PX -0.09822 -0.31508 -0.39406 0.32283 0.32283 100 7PY 0.09822 0.31508 0.32283 -0.39406 -0.32283 101 7PZ -0.00601 0.31508 0.32283 -0.32283 -0.39406 102 8PX -0.26016 0.49206 1.17659 -0.99643 -0.99643 103 8PY 0.26016 -0.49206 -0.99643 1.17659 0.99643 104 8PZ -0.00182 -0.49206 -0.99643 0.99643 1.17659 105 9D 0 0.01854 0.00000 0.00472 -0.00472 0.00945 106 9D+1 0.00544 0.00436 -0.00911 -0.00908 0.00911 107 9D-1 -0.00544 -0.00436 -0.00908 -0.00911 -0.00911 108 9D+2 0.00000 0.00000 -0.00818 -0.00818 0.00000 109 9D-2 0.01875 0.00436 -0.00911 0.00911 -0.00908 110 6 O 1S -0.00745 -0.00621 -0.00955 -0.00955 -0.00955 111 2S -0.01756 -0.01299 -0.02106 -0.02106 -0.02106 112 3S 0.01875 -0.01691 -0.00371 -0.00371 -0.00371 113 4S 0.14057 0.22186 0.27650 0.27650 0.27650 114 5S -0.19479 0.19188 -0.06061 -0.06061 -0.06061 115 6PX -0.08062 -0.01511 -0.05782 -0.00116 -0.00116 116 6PY -0.08062 -0.01511 -0.00116 -0.05782 -0.00116 117 6PZ 0.04528 -0.01511 -0.00116 -0.00116 -0.05782 118 7PX -0.09993 -0.03475 -0.08328 0.01320 0.01320 119 7PY -0.09993 -0.03475 0.01320 -0.08328 0.01320 120 7PZ 0.08945 -0.03475 0.01320 0.01320 -0.08328 121 8PX 0.00105 -0.56430 -0.45229 -0.62077 -0.62077 122 8PY 0.00105 -0.56430 -0.62077 -0.45229 -0.62077 123 8PZ -0.15695 -0.56430 -0.62077 -0.62077 -0.45229 124 9D 0 0.00506 0.00000 0.00055 0.00055 -0.00111 125 9D+1 -0.00200 -0.00893 -0.00836 -0.01077 -0.00836 126 9D-1 -0.00200 -0.00893 -0.01077 -0.00836 -0.00836 127 9D+2 0.00000 0.00000 -0.00096 0.00096 0.00000 128 9D-2 -0.00647 -0.00893 -0.00836 -0.00836 -0.01077 129 7 O 1S 0.00745 -0.00621 0.00955 -0.00955 0.00955 130 2S 0.01756 -0.01299 0.02106 -0.02106 0.02106 131 3S -0.01875 -0.01691 0.00371 -0.00371 0.00371 132 4S -0.14057 0.22186 -0.27650 0.27650 -0.27650 133 5S 0.19479 0.19188 0.06061 -0.06061 0.06061 134 6PX -0.08062 0.01511 -0.05782 0.00116 -0.00116 135 6PY 0.08062 -0.01511 0.00116 -0.05782 0.00116 136 6PZ 0.04528 0.01511 -0.00116 0.00116 -0.05782 137 7PX -0.09993 0.03475 -0.08328 -0.01320 0.01320 138 7PY 0.09993 -0.03475 -0.01320 -0.08328 -0.01320 139 7PZ 0.08945 0.03475 0.01320 -0.01320 -0.08328 140 8PX 0.00105 0.56430 -0.45229 0.62077 -0.62077 141 8PY -0.00105 -0.56430 0.62077 -0.45229 0.62077 142 8PZ -0.15695 0.56430 -0.62077 0.62077 -0.45229 143 9D 0 -0.00506 0.00000 -0.00055 0.00055 0.00111 144 9D+1 0.00200 -0.00893 0.00836 -0.01077 0.00836 145 9D-1 -0.00200 0.00893 -0.01077 0.00836 -0.00836 146 9D+2 0.00000 0.00000 0.00096 0.00096 0.00000 147 9D-2 -0.00647 0.00893 -0.00836 0.00836 -0.01077 148 8 O 1S 0.00745 -0.00621 -0.00955 0.00955 0.00955 149 2S 0.01756 -0.01299 -0.02106 0.02106 0.02106 150 3S -0.01875 -0.01691 -0.00371 0.00371 0.00371 151 4S -0.14057 0.22186 0.27650 -0.27650 -0.27650 152 5S 0.19479 0.19188 -0.06061 0.06061 0.06061 153 6PX 0.08062 -0.01511 -0.05782 0.00116 0.00116 154 6PY -0.08062 0.01511 0.00116 -0.05782 -0.00116 155 6PZ 0.04528 0.01511 0.00116 -0.00116 -0.05782 156 7PX 0.09993 -0.03475 -0.08328 -0.01320 -0.01320 157 7PY -0.09993 0.03475 -0.01320 -0.08328 0.01320 158 7PZ 0.08945 0.03475 -0.01320 0.01320 -0.08328 159 8PX -0.00105 -0.56430 -0.45229 0.62077 0.62077 160 8PY 0.00105 0.56430 0.62077 -0.45229 -0.62077 161 8PZ -0.15695 0.56430 0.62077 -0.62077 -0.45229 162 9D 0 -0.00506 0.00000 0.00055 -0.00055 0.00111 163 9D+1 -0.00200 0.00893 0.00836 -0.01077 -0.00836 164 9D-1 0.00200 -0.00893 -0.01077 0.00836 0.00836 165 9D+2 0.00000 0.00000 -0.00096 -0.00096 0.00000 166 9D-2 -0.00647 0.00893 0.00836 -0.00836 -0.01077 167 9 O 1S -0.00745 -0.00621 0.00955 0.00955 -0.00955 168 2S -0.01756 -0.01299 0.02106 0.02106 -0.02106 169 3S 0.01875 -0.01691 0.00371 0.00371 -0.00371 170 4S 0.14057 0.22186 -0.27650 -0.27650 0.27650 171 5S -0.19479 0.19188 0.06061 0.06061 -0.06061 172 6PX 0.08062 0.01511 -0.05782 -0.00116 0.00116 173 6PY 0.08062 0.01511 -0.00116 -0.05782 0.00116 174 6PZ 0.04528 -0.01511 0.00116 0.00116 -0.05782 175 7PX 0.09993 0.03475 -0.08328 0.01320 -0.01320 176 7PY 0.09993 0.03475 0.01320 -0.08328 -0.01320 177 7PZ 0.08945 -0.03475 -0.01320 -0.01320 -0.08328 178 8PX -0.00105 0.56430 -0.45229 -0.62077 0.62077 179 8PY -0.00105 0.56430 -0.62077 -0.45229 0.62077 180 8PZ -0.15695 -0.56430 0.62077 0.62077 -0.45229 181 9D 0 0.00506 0.00000 -0.00055 -0.00055 -0.00111 182 9D+1 0.00200 0.00893 -0.00836 -0.01077 0.00836 183 9D-1 0.00200 0.00893 -0.01077 -0.00836 0.00836 184 9D+2 0.00000 0.00000 0.00096 -0.00096 0.00000 185 9D-2 -0.00647 -0.00893 0.00836 0.00836 -0.01077 76 77 78 79 80 (E)--V (E)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 0.52084 0.52084 0.54535 0.54535 0.54535 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.03101 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.03101 9 7PZ 0.00000 0.00000 0.00000 -0.03101 0.00000 10 8PX 0.00000 0.00000 0.08633 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.08633 12 8PZ 0.00000 0.00000 0.00000 0.08633 0.00000 13 9PX 0.00000 0.00000 0.06022 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.06022 15 9PZ 0.00000 0.00000 0.00000 0.06022 0.00000 16 10PX 0.00000 0.00000 -0.58905 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -0.58905 18 10PZ 0.00000 0.00000 0.00000 -0.58905 0.00000 19 11D 0 -0.04804 -0.04009 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.03847 21 11D-1 0.00000 0.00000 -0.03847 0.00000 0.00000 22 11D+2 0.04009 -0.04804 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.03847 0.00000 24 12D 0 -0.02600 -0.02169 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.01251 26 12D-1 0.00000 0.00000 -0.01251 0.00000 0.00000 27 12D+2 0.02169 -0.02600 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.01251 0.00000 29 13D 0 -0.00152 -0.00127 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -0.02729 31 13D-1 0.00000 0.00000 -0.02729 0.00000 0.00000 32 13D+2 0.00127 -0.00152 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.02729 0.00000 34 2 C 1S 0.00000 0.00000 -0.01234 -0.01234 -0.01234 35 2S 0.00000 0.00000 -0.02392 -0.02392 -0.02392 36 3S 0.00000 0.00000 -0.03742 -0.03742 -0.03742 37 4S 0.00000 0.00000 0.71645 0.71645 0.71645 38 5S 0.00000 0.00000 -1.10832 -1.10832 -1.10832 39 6PX 0.07726 -0.02836 -0.01462 -0.02283 -0.02283 40 6PY -0.01407 0.08109 -0.02283 -0.02283 -0.01462 41 6PZ -0.06319 -0.05273 -0.02283 -0.01462 -0.02283 42 7PX 0.01510 -0.00554 -0.15139 -0.16246 -0.16246 43 7PY -0.00275 0.01585 -0.16246 -0.16246 -0.15139 44 7PZ -0.01235 -0.01030 -0.16246 -0.15139 -0.16246 45 8PX -0.37190 0.13650 1.22282 0.20805 0.20805 46 8PY 0.06773 -0.39033 0.20805 0.20805 1.22282 47 8PZ 0.30416 0.25382 0.20805 1.22282 0.20805 48 9D 0 0.00785 0.00655 -0.00759 0.01519 -0.00759 49 9D+1 0.00141 -0.00814 0.01365 0.01365 -0.02793 50 9D-1 -0.00776 0.00285 -0.02793 0.01365 0.01365 51 9D+2 -0.00655 0.00785 0.01315 0.00000 -0.01315 52 9D-2 0.00634 0.00529 0.01365 -0.02793 0.01365 53 3 C 1S 0.00000 0.00000 0.01234 -0.01234 0.01234 54 2S 0.00000 0.00000 0.02392 -0.02392 0.02392 55 3S 0.00000 0.00000 0.03742 -0.03742 0.03742 56 4S 0.00000 0.00000 -0.71645 0.71645 -0.71645 57 5S 0.00000 0.00000 1.10832 -1.10832 1.10832 58 6PX -0.07726 0.02836 -0.01462 0.02283 -0.02283 59 6PY 0.01407 -0.08109 -0.02283 0.02283 -0.01462 60 6PZ -0.06319 -0.05273 0.02283 -0.01462 0.02283 61 7PX -0.01510 0.00554 -0.15139 0.16246 -0.16246 62 7PY 0.00275 -0.01585 -0.16246 0.16246 -0.15139 63 7PZ -0.01235 -0.01030 0.16246 -0.15139 0.16246 64 8PX 0.37190 -0.13650 1.22282 -0.20805 0.20805 65 8PY -0.06773 0.39033 0.20805 -0.20805 1.22282 66 8PZ 0.30416 0.25382 -0.20805 1.22282 -0.20805 67 9D 0 0.00785 0.00655 0.00759 0.01519 0.00759 68 9D+1 -0.00141 0.00814 0.01365 -0.01365 -0.02793 69 9D-1 0.00776 -0.00285 -0.02793 -0.01365 0.01365 70 9D+2 -0.00655 0.00785 -0.01315 0.00000 0.01315 71 9D-2 0.00634 0.00529 -0.01365 -0.02793 -0.01365 72 4 C 1S 0.00000 0.00000 0.01234 0.01234 -0.01234 73 2S 0.00000 0.00000 0.02392 0.02392 -0.02392 74 3S 0.00000 0.00000 0.03742 0.03742 -0.03742 75 4S 0.00000 0.00000 -0.71645 -0.71645 0.71645 76 5S 0.00000 0.00000 1.10832 1.10832 -1.10832 77 6PX -0.07726 0.02836 -0.01462 -0.02283 0.02283 78 6PY -0.01407 0.08109 0.02283 0.02283 -0.01462 79 6PZ 0.06319 0.05273 -0.02283 -0.01462 0.02283 80 7PX -0.01510 0.00554 -0.15139 -0.16246 0.16246 81 7PY -0.00275 0.01585 0.16246 0.16246 -0.15139 82 7PZ 0.01235 0.01030 -0.16246 -0.15139 0.16246 83 8PX 0.37190 -0.13650 1.22282 0.20805 -0.20805 84 8PY 0.06773 -0.39033 -0.20805 -0.20805 1.22282 85 8PZ -0.30416 -0.25382 0.20805 1.22282 -0.20805 86 9D 0 0.00785 0.00655 0.00759 -0.01519 -0.00759 87 9D+1 0.00141 -0.00814 -0.01365 -0.01365 -0.02793 88 9D-1 0.00776 -0.00285 -0.02793 0.01365 -0.01365 89 9D+2 -0.00655 0.00785 -0.01315 0.00000 -0.01315 90 9D-2 -0.00634 -0.00529 0.01365 -0.02793 -0.01365 91 5 C 1S 0.00000 0.00000 -0.01234 0.01234 0.01234 92 2S 0.00000 0.00000 -0.02392 0.02392 0.02392 93 3S 0.00000 0.00000 -0.03742 0.03742 0.03742 94 4S 0.00000 0.00000 0.71645 -0.71645 -0.71645 95 5S 0.00000 0.00000 -1.10832 1.10832 1.10832 96 6PX 0.07726 -0.02836 -0.01462 0.02283 0.02283 97 6PY 0.01407 -0.08109 0.02283 -0.02283 -0.01462 98 6PZ 0.06319 0.05273 0.02283 -0.01462 -0.02283 99 7PX 0.01510 -0.00554 -0.15139 0.16246 0.16246 100 7PY 0.00275 -0.01585 0.16246 -0.16246 -0.15139 101 7PZ 0.01235 0.01030 0.16246 -0.15139 -0.16246 102 8PX -0.37190 0.13650 1.22282 -0.20805 -0.20805 103 8PY -0.06773 0.39033 -0.20805 0.20805 1.22282 104 8PZ -0.30416 -0.25382 -0.20805 1.22282 0.20805 105 9D 0 0.00785 0.00655 -0.00759 -0.01519 0.00759 106 9D+1 -0.00141 0.00814 -0.01365 0.01365 -0.02793 107 9D-1 -0.00776 0.00285 -0.02793 -0.01365 -0.01365 108 9D+2 -0.00655 0.00785 0.01315 0.00000 0.01315 109 9D-2 -0.00634 -0.00529 -0.01365 -0.02793 0.01365 110 6 O 1S 0.00000 0.00000 -0.00140 -0.00140 -0.00140 111 2S 0.00000 0.00000 -0.00207 -0.00207 -0.00207 112 3S 0.00000 0.00000 -0.01728 -0.01728 -0.01728 113 4S 0.00000 0.00000 0.12453 0.12453 0.12453 114 5S 0.00000 0.00000 -0.28944 -0.28944 -0.28944 115 6PX -0.11615 0.04263 0.09989 -0.03002 -0.03002 116 6PY 0.02115 -0.12190 -0.03002 -0.03002 0.09989 117 6PZ 0.09499 0.07927 -0.03002 0.09989 -0.03002 118 7PX -0.26242 0.09632 0.27665 -0.10279 -0.10279 119 7PY 0.04779 -0.27542 -0.10279 -0.10279 0.27665 120 7PZ 0.21463 0.17910 -0.10279 0.27665 -0.10279 121 8PX 0.64886 -0.23816 -0.90219 0.26213 0.26213 122 8PY -0.11818 0.68101 0.26213 0.26213 -0.90219 123 8PZ -0.53068 -0.44285 0.26213 -0.90219 0.26213 124 9D 0 -0.00334 -0.00279 0.00759 -0.01518 0.00759 125 9D+1 0.00068 -0.00393 -0.00357 -0.00357 0.00644 126 9D-1 -0.00375 0.00138 0.00644 -0.00357 -0.00357 127 9D+2 0.00279 -0.00334 -0.01314 0.00000 0.01314 128 9D-2 0.00307 0.00256 -0.00357 0.00644 -0.00357 129 7 O 1S 0.00000 0.00000 0.00140 0.00140 -0.00140 130 2S 0.00000 0.00000 0.00207 0.00207 -0.00207 131 3S 0.00000 0.00000 0.01728 0.01728 -0.01728 132 4S 0.00000 0.00000 -0.12453 -0.12453 0.12453 133 5S 0.00000 0.00000 0.28944 0.28944 -0.28944 134 6PX 0.11615 -0.04263 0.09989 -0.03002 0.03002 135 6PY 0.02115 -0.12190 0.03002 0.03002 0.09989 136 6PZ -0.09499 -0.07927 -0.03002 0.09989 0.03002 137 7PX 0.26242 -0.09632 0.27665 -0.10279 0.10279 138 7PY 0.04779 -0.27542 0.10279 0.10279 0.27665 139 7PZ -0.21463 -0.17910 -0.10279 0.27665 0.10279 140 8PX -0.64886 0.23816 -0.90219 0.26213 -0.26213 141 8PY -0.11818 0.68101 -0.26213 -0.26213 -0.90219 142 8PZ 0.53068 0.44285 0.26213 -0.90219 -0.26213 143 9D 0 -0.00334 -0.00279 -0.00759 0.01518 0.00759 144 9D+1 0.00068 -0.00393 0.00357 0.00357 0.00644 145 9D-1 0.00375 -0.00138 0.00644 -0.00357 0.00357 146 9D+2 0.00279 -0.00334 0.01314 0.00000 0.01314 147 9D-2 -0.00307 -0.00256 -0.00357 0.00644 0.00357 148 8 O 1S 0.00000 0.00000 -0.00140 0.00140 0.00140 149 2S 0.00000 0.00000 -0.00207 0.00207 0.00207 150 3S 0.00000 0.00000 -0.01728 0.01728 0.01728 151 4S 0.00000 0.00000 0.12453 -0.12453 -0.12453 152 5S 0.00000 0.00000 -0.28944 0.28944 0.28944 153 6PX -0.11615 0.04263 0.09989 0.03002 0.03002 154 6PY -0.02115 0.12190 0.03002 -0.03002 0.09989 155 6PZ -0.09499 -0.07927 0.03002 0.09989 -0.03002 156 7PX -0.26242 0.09632 0.27665 0.10279 0.10279 157 7PY -0.04779 0.27542 0.10279 -0.10279 0.27665 158 7PZ -0.21463 -0.17910 0.10279 0.27665 -0.10279 159 8PX 0.64886 -0.23816 -0.90219 -0.26213 -0.26213 160 8PY 0.11818 -0.68101 -0.26213 0.26213 -0.90219 161 8PZ 0.53068 0.44285 -0.26213 -0.90219 0.26213 162 9D 0 -0.00334 -0.00279 0.00759 0.01518 -0.00759 163 9D+1 -0.00068 0.00393 0.00357 -0.00357 0.00644 164 9D-1 -0.00375 0.00138 0.00644 0.00357 0.00357 165 9D+2 0.00279 -0.00334 -0.01314 0.00000 -0.01314 166 9D-2 -0.00307 -0.00256 0.00357 0.00644 -0.00357 167 9 O 1S 0.00000 0.00000 0.00140 -0.00140 0.00140 168 2S 0.00000 0.00000 0.00207 -0.00207 0.00207 169 3S 0.00000 0.00000 0.01728 -0.01728 0.01728 170 4S 0.00000 0.00000 -0.12453 0.12453 -0.12453 171 5S 0.00000 0.00000 0.28944 -0.28944 0.28944 172 6PX 0.11615 -0.04263 0.09989 0.03002 -0.03002 173 6PY -0.02115 0.12190 -0.03002 0.03002 0.09989 174 6PZ 0.09499 0.07927 0.03002 0.09989 0.03002 175 7PX 0.26242 -0.09632 0.27665 0.10279 -0.10279 176 7PY -0.04779 0.27542 -0.10279 0.10279 0.27665 177 7PZ 0.21463 0.17910 0.10279 0.27665 0.10279 178 8PX -0.64886 0.23816 -0.90219 -0.26213 0.26213 179 8PY 0.11818 -0.68101 0.26213 -0.26213 -0.90219 180 8PZ -0.53068 -0.44285 -0.26213 -0.90219 -0.26213 181 9D 0 -0.00334 -0.00279 -0.00759 -0.01518 -0.00759 182 9D+1 -0.00068 0.00393 -0.00357 0.00357 0.00644 183 9D-1 0.00375 -0.00138 0.00644 0.00357 -0.00357 184 9D+2 0.00279 -0.00334 0.01314 0.00000 -0.01314 185 9D-2 0.00307 0.00256 0.00357 0.00644 0.00357 81 82 83 84 85 (T1)--V (T1)--V (T1)--V (T2)--V (T2)--V Eigenvalues -- 0.62338 0.62338 0.62338 0.66654 0.66654 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 -0.00190 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.00190 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.00727 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.00727 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.12153 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.12153 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 -1.70050 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -1.70050 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.19804 21 11D-1 0.00000 0.00000 0.00000 -0.19804 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 -0.13536 26 12D-1 0.00000 0.00000 0.00000 -0.13536 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.18453 31 13D-1 0.00000 0.00000 0.00000 0.18453 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.01168 0.01168 35 2S 0.00000 0.00000 0.00000 0.02360 0.02360 36 3S 0.00000 0.00000 0.00000 0.11558 0.11558 37 4S 0.00000 0.00000 0.00000 -0.69118 -0.69118 38 5S 0.00000 0.00000 0.00000 1.74356 1.74356 39 6PX -0.06489 -0.06489 0.00000 -0.07557 -0.10909 40 6PY 0.00000 0.06489 -0.06489 -0.10909 -0.07557 41 6PZ 0.06489 0.00000 0.06489 -0.10909 -0.10909 42 7PX -0.09833 -0.09833 0.00000 -0.12578 -0.25612 43 7PY 0.00000 0.09833 -0.09833 -0.25612 -0.12578 44 7PZ 0.09833 0.00000 0.09833 -0.25612 -0.25612 45 8PX 0.92130 0.92130 0.00000 -0.47555 -0.36563 46 8PY 0.00000 -0.92130 0.92130 -0.36563 -0.47555 47 8PZ -0.92130 0.00000 -0.92130 -0.36563 -0.36563 48 9D 0 -0.00188 0.00000 -0.00188 -0.01721 -0.01721 49 9D+1 0.00000 0.01658 -0.01658 0.00565 0.02347 50 9D-1 -0.01658 -0.01658 0.00000 0.02347 0.00565 51 9D+2 0.00109 0.00217 -0.00109 0.02980 -0.02980 52 9D-2 0.01658 0.00000 0.01658 0.00565 0.00565 53 3 C 1S 0.00000 0.00000 0.00000 -0.01168 -0.01168 54 2S 0.00000 0.00000 0.00000 -0.02360 -0.02360 55 3S 0.00000 0.00000 0.00000 -0.11558 -0.11558 56 4S 0.00000 0.00000 0.00000 0.69118 0.69118 57 5S 0.00000 0.00000 0.00000 -1.74356 -1.74356 58 6PX -0.06489 0.06489 0.00000 -0.07557 -0.10909 59 6PY 0.00000 -0.06489 -0.06489 -0.10909 -0.07557 60 6PZ -0.06489 0.00000 -0.06489 0.10909 0.10909 61 7PX -0.09833 0.09833 0.00000 -0.12578 -0.25612 62 7PY 0.00000 -0.09833 -0.09833 -0.25612 -0.12578 63 7PZ -0.09833 0.00000 -0.09833 0.25612 0.25612 64 8PX 0.92130 -0.92130 0.00000 -0.47555 -0.36563 65 8PY 0.00000 0.92130 0.92130 -0.36563 -0.47555 66 8PZ 0.92130 0.00000 0.92130 0.36563 0.36563 67 9D 0 0.00188 0.00000 0.00188 0.01721 0.01721 68 9D+1 0.00000 -0.01658 -0.01658 0.00565 0.02347 69 9D-1 -0.01658 0.01658 0.00000 0.02347 0.00565 70 9D+2 -0.00109 0.00217 0.00109 -0.02980 0.02980 71 9D-2 -0.01658 0.00000 -0.01658 -0.00565 -0.00565 72 4 C 1S 0.00000 0.00000 0.00000 -0.01168 0.01168 73 2S 0.00000 0.00000 0.00000 -0.02360 0.02360 74 3S 0.00000 0.00000 0.00000 -0.11558 0.11558 75 4S 0.00000 0.00000 0.00000 0.69118 -0.69118 76 5S 0.00000 0.00000 0.00000 -1.74356 1.74356 77 6PX 0.06489 -0.06489 0.00000 -0.07557 0.10909 78 6PY 0.00000 -0.06489 0.06489 0.10909 -0.07557 79 6PZ -0.06489 0.00000 0.06489 -0.10909 0.10909 80 7PX 0.09833 -0.09833 0.00000 -0.12578 0.25612 81 7PY 0.00000 -0.09833 0.09833 0.25612 -0.12578 82 7PZ -0.09833 0.00000 0.09833 -0.25612 0.25612 83 8PX -0.92130 0.92130 0.00000 -0.47555 0.36563 84 8PY 0.00000 0.92130 -0.92130 0.36563 -0.47555 85 8PZ 0.92130 0.00000 -0.92130 -0.36563 0.36563 86 9D 0 -0.00188 0.00000 0.00188 0.01721 -0.01721 87 9D+1 0.00000 -0.01658 0.01658 -0.00565 0.02347 88 9D-1 0.01658 -0.01658 0.00000 0.02347 -0.00565 89 9D+2 0.00109 -0.00217 0.00109 -0.02980 -0.02980 90 9D-2 -0.01658 0.00000 0.01658 0.00565 -0.00565 91 5 C 1S 0.00000 0.00000 0.00000 0.01168 -0.01168 92 2S 0.00000 0.00000 0.00000 0.02360 -0.02360 93 3S 0.00000 0.00000 0.00000 0.11558 -0.11558 94 4S 0.00000 0.00000 0.00000 -0.69118 0.69118 95 5S 0.00000 0.00000 0.00000 1.74356 -1.74356 96 6PX 0.06489 0.06489 0.00000 -0.07557 0.10909 97 6PY 0.00000 0.06489 0.06489 0.10909 -0.07557 98 6PZ 0.06489 0.00000 -0.06489 0.10909 -0.10909 99 7PX 0.09833 0.09833 0.00000 -0.12578 0.25612 100 7PY 0.00000 0.09833 0.09833 0.25612 -0.12578 101 7PZ 0.09833 0.00000 -0.09833 0.25612 -0.25612 102 8PX -0.92130 -0.92130 0.00000 -0.47555 0.36563 103 8PY 0.00000 -0.92130 -0.92130 0.36563 -0.47555 104 8PZ -0.92130 0.00000 0.92130 0.36563 -0.36563 105 9D 0 0.00188 0.00000 -0.00188 -0.01721 0.01721 106 9D+1 0.00000 0.01658 0.01658 -0.00565 0.02347 107 9D-1 0.01658 0.01658 0.00000 0.02347 -0.00565 108 9D+2 -0.00109 -0.00217 -0.00109 0.02980 0.02980 109 9D-2 0.01658 0.00000 -0.01658 -0.00565 0.00565 110 6 O 1S 0.00000 0.00000 0.00000 -0.02184 -0.02184 111 2S 0.00000 0.00000 0.00000 -0.04921 -0.04921 112 3S 0.00000 0.00000 0.00000 -0.00033 -0.00033 113 4S 0.00000 0.00000 0.00000 0.77472 0.77472 114 5S 0.00000 0.00000 0.00000 -0.64307 -0.64307 115 6PX 0.09002 0.09002 0.00000 -0.09039 -0.08094 116 6PY 0.00000 -0.09002 0.09002 -0.08094 -0.09039 117 6PZ -0.09002 0.00000 -0.09002 -0.08094 -0.08094 118 7PX 0.25058 0.25058 0.00000 -0.20639 -0.19349 119 7PY 0.00000 -0.25058 0.25058 -0.19349 -0.20639 120 7PZ -0.25058 0.00000 -0.25058 -0.19349 -0.19349 121 8PX -0.79894 -0.79894 0.00000 0.25196 0.27979 122 8PY 0.00000 0.79894 -0.79894 0.27979 0.25196 123 8PZ 0.79894 0.00000 0.79894 0.27979 0.27979 124 9D 0 0.01012 0.00000 0.01012 0.00161 0.00161 125 9D+1 0.00000 -0.00383 0.00383 -0.00039 0.00694 126 9D-1 0.00383 0.00383 0.00000 0.00694 -0.00039 127 9D+2 -0.00584 -0.01168 0.00584 -0.00279 0.00279 128 9D-2 -0.00383 0.00000 -0.00383 -0.00039 -0.00039 129 7 O 1S 0.00000 0.00000 0.00000 0.02184 -0.02184 130 2S 0.00000 0.00000 0.00000 0.04921 -0.04921 131 3S 0.00000 0.00000 0.00000 0.00033 -0.00033 132 4S 0.00000 0.00000 0.00000 -0.77472 0.77472 133 5S 0.00000 0.00000 0.00000 0.64307 -0.64307 134 6PX -0.09002 0.09002 0.00000 -0.09039 0.08094 135 6PY 0.00000 0.09002 -0.09002 0.08094 -0.09039 136 6PZ 0.09002 0.00000 -0.09002 -0.08094 0.08094 137 7PX -0.25058 0.25058 0.00000 -0.20639 0.19349 138 7PY 0.00000 0.25058 -0.25058 0.19349 -0.20639 139 7PZ 0.25058 0.00000 -0.25058 -0.19349 0.19349 140 8PX 0.79894 -0.79894 0.00000 0.25196 -0.27979 141 8PY 0.00000 -0.79894 0.79894 -0.27979 0.25196 142 8PZ -0.79894 0.00000 0.79894 0.27979 -0.27979 143 9D 0 0.01012 0.00000 -0.01012 -0.00161 0.00161 144 9D+1 0.00000 0.00383 -0.00383 0.00039 0.00694 145 9D-1 -0.00383 0.00383 0.00000 0.00694 0.00039 146 9D+2 -0.00584 0.01168 -0.00584 0.00279 0.00279 147 9D-2 0.00383 0.00000 -0.00383 -0.00039 0.00039 148 8 O 1S 0.00000 0.00000 0.00000 -0.02184 0.02184 149 2S 0.00000 0.00000 0.00000 -0.04921 0.04921 150 3S 0.00000 0.00000 0.00000 -0.00033 0.00033 151 4S 0.00000 0.00000 0.00000 0.77472 -0.77472 152 5S 0.00000 0.00000 0.00000 -0.64307 0.64307 153 6PX -0.09002 -0.09002 0.00000 -0.09039 0.08094 154 6PY 0.00000 -0.09002 -0.09002 0.08094 -0.09039 155 6PZ -0.09002 0.00000 0.09002 0.08094 -0.08094 156 7PX -0.25058 -0.25058 0.00000 -0.20639 0.19349 157 7PY 0.00000 -0.25058 -0.25058 0.19349 -0.20639 158 7PZ -0.25058 0.00000 0.25058 0.19349 -0.19349 159 8PX 0.79894 0.79894 0.00000 0.25196 -0.27979 160 8PY 0.00000 0.79894 0.79894 -0.27979 0.25196 161 8PZ 0.79894 0.00000 -0.79894 -0.27979 0.27979 162 9D 0 -0.01012 0.00000 0.01012 0.00161 -0.00161 163 9D+1 0.00000 -0.00383 -0.00383 0.00039 0.00694 164 9D-1 -0.00383 -0.00383 0.00000 0.00694 0.00039 165 9D+2 0.00584 0.01168 0.00584 -0.00279 -0.00279 166 9D-2 -0.00383 0.00000 0.00383 0.00039 -0.00039 167 9 O 1S 0.00000 0.00000 0.00000 0.02184 0.02184 168 2S 0.00000 0.00000 0.00000 0.04921 0.04921 169 3S 0.00000 0.00000 0.00000 0.00033 0.00033 170 4S 0.00000 0.00000 0.00000 -0.77472 -0.77472 171 5S 0.00000 0.00000 0.00000 0.64307 0.64307 172 6PX 0.09002 -0.09002 0.00000 -0.09039 -0.08094 173 6PY 0.00000 0.09002 0.09002 -0.08094 -0.09039 174 6PZ 0.09002 0.00000 0.09002 0.08094 0.08094 175 7PX 0.25058 -0.25058 0.00000 -0.20639 -0.19349 176 7PY 0.00000 0.25058 0.25058 -0.19349 -0.20639 177 7PZ 0.25058 0.00000 0.25058 0.19349 0.19349 178 8PX -0.79894 0.79894 0.00000 0.25196 0.27979 179 8PY 0.00000 -0.79894 -0.79894 0.27979 0.25196 180 8PZ -0.79894 0.00000 -0.79894 -0.27979 -0.27979 181 9D 0 -0.01012 0.00000 -0.01012 -0.00161 -0.00161 182 9D+1 0.00000 0.00383 0.00383 -0.00039 0.00694 183 9D-1 0.00383 -0.00383 0.00000 0.00694 -0.00039 184 9D+2 0.00584 -0.01168 -0.00584 0.00279 -0.00279 185 9D-2 0.00383 0.00000 0.00383 0.00039 0.00039 86 87 88 89 90 (T2)--V (T2)--V (T2)--V (T2)--V (A1)--V Eigenvalues -- 0.66654 0.81525 0.81525 0.81525 0.81744 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 -0.02125 2 2S 0.00000 0.00000 0.00000 0.00000 0.08425 3 3S 0.00000 0.00000 0.00000 0.00000 -0.13914 4 4S 0.00000 0.00000 0.00000 0.00000 -0.46130 5 5S 0.00000 0.00000 0.00000 0.00000 3.29899 6 6S 0.00000 0.00000 0.00000 0.00000 3.31786 7 7PX 0.00000 0.00000 -0.00052 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.00052 0.00000 9 7PZ -0.00190 -0.00052 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.00262 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.00262 0.00000 12 8PZ -0.00727 -0.00262 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.05021 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.05021 0.00000 15 9PZ 0.12153 0.05021 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -1.59524 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -1.59524 0.00000 18 10PZ -1.70050 -1.59524 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.04763 0.00000 21 11D-1 0.00000 0.00000 -0.04763 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 -0.19804 -0.04763 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 -0.01817 0.00000 26 12D-1 0.00000 0.00000 -0.01817 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -0.13536 -0.01817 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 -0.05448 0.00000 31 13D-1 0.00000 0.00000 -0.05448 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.18453 -0.05448 0.00000 0.00000 0.00000 34 2 C 1S 0.01168 0.01654 0.01654 0.01654 -0.00466 35 2S 0.02360 0.03944 0.03944 0.03944 -0.00829 36 3S 0.11558 -0.09670 -0.09670 -0.09670 -0.11074 37 4S -0.69118 -1.19560 -1.19560 -1.19560 0.49139 38 5S 1.74356 -0.44434 -0.44434 -0.44434 -2.59703 39 6PX -0.10909 -0.04464 -0.08253 -0.04464 0.17067 40 6PY -0.10909 -0.04464 -0.04464 -0.08253 0.17067 41 6PZ -0.07557 -0.08253 -0.04464 -0.04464 0.17067 42 7PX -0.25612 -0.32224 -0.28098 -0.32224 0.26267 43 7PY -0.25612 -0.32224 -0.32224 -0.28098 0.26267 44 7PZ -0.12578 -0.28098 -0.32224 -0.32224 0.26267 45 8PX -0.36563 -1.29075 -1.24752 -1.29075 0.18210 46 8PY -0.36563 -1.29075 -1.29075 -1.24752 0.18210 47 8PZ -0.47555 -1.24752 -1.29075 -1.29075 0.18210 48 9D 0 0.03441 0.01437 -0.00719 -0.00719 0.00000 49 9D+1 0.00565 0.00017 0.00017 0.01005 -0.01604 50 9D-1 0.00565 0.00017 0.01005 0.00017 -0.01604 51 9D+2 0.00000 0.00000 0.01245 -0.01245 0.00000 52 9D-2 0.02347 0.01005 0.00017 0.00017 -0.01604 53 3 C 1S 0.01168 0.01654 -0.01654 -0.01654 -0.00466 54 2S 0.02360 0.03944 -0.03944 -0.03944 -0.00829 55 3S 0.11558 -0.09670 0.09670 0.09670 -0.11074 56 4S -0.69118 -1.19560 1.19560 1.19560 0.49139 57 5S 1.74356 -0.44434 0.44434 0.44434 -2.59703 58 6PX 0.10909 0.04464 -0.08253 -0.04464 -0.17067 59 6PY 0.10909 0.04464 -0.04464 -0.08253 -0.17067 60 6PZ -0.07557 -0.08253 0.04464 0.04464 0.17067 61 7PX 0.25612 0.32224 -0.28098 -0.32224 -0.26267 62 7PY 0.25612 0.32224 -0.32224 -0.28098 -0.26267 63 7PZ -0.12578 -0.28098 0.32224 0.32224 0.26267 64 8PX 0.36563 1.29075 -1.24752 -1.29075 -0.18210 65 8PY 0.36563 1.29075 -1.29075 -1.24752 -0.18210 66 8PZ -0.47555 -1.24752 1.29075 1.29075 0.18210 67 9D 0 0.03441 0.01437 0.00719 0.00719 0.00000 68 9D+1 -0.00565 -0.00017 0.00017 0.01005 0.01604 69 9D-1 -0.00565 -0.00017 0.01005 0.00017 0.01604 70 9D+2 0.00000 0.00000 -0.01245 0.01245 0.00000 71 9D-2 0.02347 0.01005 -0.00017 -0.00017 -0.01604 72 4 C 1S -0.01168 -0.01654 -0.01654 0.01654 -0.00466 73 2S -0.02360 -0.03944 -0.03944 0.03944 -0.00829 74 3S -0.11558 0.09670 0.09670 -0.09670 -0.11074 75 4S 0.69118 1.19560 1.19560 -1.19560 0.49139 76 5S -1.74356 0.44434 0.44434 -0.44434 -2.59703 77 6PX -0.10909 -0.04464 -0.08253 0.04464 -0.17067 78 6PY 0.10909 0.04464 0.04464 -0.08253 0.17067 79 6PZ -0.07557 -0.08253 -0.04464 0.04464 -0.17067 80 7PX -0.25612 -0.32224 -0.28098 0.32224 -0.26267 81 7PY 0.25612 0.32224 0.32224 -0.28098 0.26267 82 7PZ -0.12578 -0.28098 -0.32224 0.32224 -0.26267 83 8PX -0.36563 -1.29075 -1.24752 1.29075 -0.18210 84 8PY 0.36563 1.29075 1.29075 -1.24752 0.18210 85 8PZ -0.47555 -1.24752 -1.29075 1.29075 -0.18210 86 9D 0 -0.03441 -0.01437 0.00719 -0.00719 0.00000 87 9D+1 -0.00565 -0.00017 -0.00017 0.01005 -0.01604 88 9D-1 0.00565 0.00017 0.01005 -0.00017 0.01604 89 9D+2 0.00000 0.00000 -0.01245 -0.01245 0.00000 90 9D-2 0.02347 0.01005 0.00017 -0.00017 0.01604 91 5 C 1S -0.01168 -0.01654 0.01654 -0.01654 -0.00466 92 2S -0.02360 -0.03944 0.03944 -0.03944 -0.00829 93 3S -0.11558 0.09670 -0.09670 0.09670 -0.11074 94 4S 0.69118 1.19560 -1.19560 1.19560 0.49139 95 5S -1.74356 0.44434 -0.44434 0.44434 -2.59703 96 6PX 0.10909 0.04464 -0.08253 0.04464 0.17067 97 6PY -0.10909 -0.04464 0.04464 -0.08253 -0.17067 98 6PZ -0.07557 -0.08253 0.04464 -0.04464 -0.17067 99 7PX 0.25612 0.32224 -0.28098 0.32224 0.26267 100 7PY -0.25612 -0.32224 0.32224 -0.28098 -0.26267 101 7PZ -0.12578 -0.28098 0.32224 -0.32224 -0.26267 102 8PX 0.36563 1.29075 -1.24752 1.29075 0.18210 103 8PY -0.36563 -1.29075 1.29075 -1.24752 -0.18210 104 8PZ -0.47555 -1.24752 1.29075 -1.29075 -0.18210 105 9D 0 -0.03441 -0.01437 -0.00719 0.00719 0.00000 106 9D+1 0.00565 0.00017 -0.00017 0.01005 0.01604 107 9D-1 -0.00565 -0.00017 0.01005 -0.00017 -0.01604 108 9D+2 0.00000 0.00000 0.01245 0.01245 0.00000 109 9D-2 0.02347 0.01005 -0.00017 0.00017 0.01604 110 6 O 1S -0.02184 0.01930 0.01930 0.01930 0.02390 111 2S -0.04921 0.03761 0.03761 0.03761 0.05488 112 3S -0.00033 0.09628 0.09628 0.09628 -0.01477 113 4S 0.77472 -1.30265 -1.30265 -1.30265 -0.83863 114 5S -0.64307 4.17470 4.17470 4.17470 1.05593 115 6PX -0.08094 -0.07244 -0.06115 -0.07244 0.09542 116 6PY -0.08094 -0.07244 -0.07244 -0.06115 0.09542 117 6PZ -0.09039 -0.06115 -0.07244 -0.07244 0.09542 118 7PX -0.19349 -0.16403 -0.14100 -0.16403 0.19365 119 7PY -0.19349 -0.16403 -0.16403 -0.14100 0.19365 120 7PZ -0.20639 -0.14100 -0.16403 -0.16403 0.19365 121 8PX 0.27979 -0.31716 -0.41938 -0.31716 -0.27890 122 8PY 0.27979 -0.31716 -0.31716 -0.41938 -0.27890 123 8PZ 0.25196 -0.41938 -0.31716 -0.31716 -0.27890 124 9D 0 -0.00322 0.00003 -0.00001 -0.00001 0.00000 125 9D+1 -0.00039 -0.01319 -0.01319 -0.00997 0.00708 126 9D-1 -0.00039 -0.01319 -0.00997 -0.01319 0.00708 127 9D+2 0.00000 0.00000 0.00003 -0.00003 0.00000 128 9D-2 0.00694 -0.00997 -0.01319 -0.01319 0.00708 129 7 O 1S 0.02184 -0.01930 -0.01930 0.01930 0.02390 130 2S 0.04921 -0.03761 -0.03761 0.03761 0.05488 131 3S 0.00033 -0.09628 -0.09628 0.09628 -0.01477 132 4S -0.77472 1.30265 1.30265 -1.30265 -0.83863 133 5S 0.64307 -4.17470 -4.17470 4.17470 1.05593 134 6PX -0.08094 -0.07244 -0.06115 0.07244 -0.09542 135 6PY 0.08094 0.07244 0.07244 -0.06115 0.09542 136 6PZ -0.09039 -0.06115 -0.07244 0.07244 -0.09542 137 7PX -0.19349 -0.16403 -0.14100 0.16403 -0.19365 138 7PY 0.19349 0.16403 0.16403 -0.14100 0.19365 139 7PZ -0.20639 -0.14100 -0.16403 0.16403 -0.19365 140 8PX 0.27979 -0.31716 -0.41938 0.31716 0.27890 141 8PY -0.27979 0.31716 0.31716 -0.41938 -0.27890 142 8PZ 0.25196 -0.41938 -0.31716 0.31716 0.27890 143 9D 0 0.00322 -0.00003 0.00001 -0.00001 0.00000 144 9D+1 0.00039 0.01319 0.01319 -0.00997 0.00708 145 9D-1 -0.00039 -0.01319 -0.00997 0.01319 -0.00708 146 9D+2 0.00000 0.00000 -0.00003 -0.00003 0.00000 147 9D-2 0.00694 -0.00997 -0.01319 0.01319 -0.00708 148 8 O 1S 0.02184 -0.01930 0.01930 -0.01930 0.02390 149 2S 0.04921 -0.03761 0.03761 -0.03761 0.05488 150 3S 0.00033 -0.09628 0.09628 -0.09628 -0.01477 151 4S -0.77472 1.30265 -1.30265 1.30265 -0.83863 152 5S 0.64307 -4.17470 4.17470 -4.17470 1.05593 153 6PX 0.08094 0.07244 -0.06115 0.07244 0.09542 154 6PY -0.08094 -0.07244 0.07244 -0.06115 -0.09542 155 6PZ -0.09039 -0.06115 0.07244 -0.07244 -0.09542 156 7PX 0.19349 0.16403 -0.14100 0.16403 0.19365 157 7PY -0.19349 -0.16403 0.16403 -0.14100 -0.19365 158 7PZ -0.20639 -0.14100 0.16403 -0.16403 -0.19365 159 8PX -0.27979 0.31716 -0.41938 0.31716 -0.27890 160 8PY 0.27979 -0.31716 0.31716 -0.41938 0.27890 161 8PZ 0.25196 -0.41938 0.31716 -0.31716 0.27890 162 9D 0 0.00322 -0.00003 -0.00001 0.00001 0.00000 163 9D+1 -0.00039 -0.01319 0.01319 -0.00997 -0.00708 164 9D-1 0.00039 0.01319 -0.00997 0.01319 0.00708 165 9D+2 0.00000 0.00000 0.00003 0.00003 0.00000 166 9D-2 0.00694 -0.00997 0.01319 -0.01319 -0.00708 167 9 O 1S -0.02184 0.01930 -0.01930 -0.01930 0.02390 168 2S -0.04921 0.03761 -0.03761 -0.03761 0.05488 169 3S -0.00033 0.09628 -0.09628 -0.09628 -0.01477 170 4S 0.77472 -1.30265 1.30265 1.30265 -0.83863 171 5S -0.64307 4.17470 -4.17470 -4.17470 1.05593 172 6PX 0.08094 0.07244 -0.06115 -0.07244 -0.09542 173 6PY 0.08094 0.07244 -0.07244 -0.06115 -0.09542 174 6PZ -0.09039 -0.06115 0.07244 0.07244 0.09542 175 7PX 0.19349 0.16403 -0.14100 -0.16403 -0.19365 176 7PY 0.19349 0.16403 -0.16403 -0.14100 -0.19365 177 7PZ -0.20639 -0.14100 0.16403 0.16403 0.19365 178 8PX -0.27979 0.31716 -0.41938 -0.31716 0.27890 179 8PY -0.27979 0.31716 -0.31716 -0.41938 0.27890 180 8PZ 0.25196 -0.41938 0.31716 0.31716 -0.27890 181 9D 0 -0.00322 0.00003 0.00001 0.00001 0.00000 182 9D+1 0.00039 0.01319 -0.01319 -0.00997 -0.00708 183 9D-1 0.00039 0.01319 -0.00997 -0.01319 -0.00708 184 9D+2 0.00000 0.00000 -0.00003 0.00003 0.00000 185 9D-2 0.00694 -0.00997 0.01319 0.01319 0.00708 91 92 93 94 95 (A1)--V (E)--V (E)--V (T2)--V (T2)--V Eigenvalues -- 0.86760 0.90368 0.90368 1.30201 1.30201 1 1 Ni 1S 0.00447 0.00000 0.00000 0.00000 0.00000 2 2S -0.02623 0.00000 0.00000 0.00000 0.00000 3 3S 0.01512 0.00000 0.00000 0.00000 0.00000 4 4S 0.20096 0.00000 0.00000 0.00000 0.00000 5 5S -3.62016 0.00000 0.00000 0.00000 0.00000 6 6S 3.87004 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 -0.03001 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.03001 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.09516 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.09516 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 -0.00166 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.00166 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 -1.05284 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -1.05284 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.23316 -0.24809 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.15804 21 11D-1 0.00000 0.00000 0.00000 0.15804 0.00000 22 11D+2 0.00000 -0.24809 -0.23316 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.23081 -0.24560 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.21522 26 12D-1 0.00000 0.00000 0.00000 0.21522 0.00000 27 12D+2 0.00000 -0.24560 -0.23081 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 -0.72793 0.77456 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -1.00236 31 13D-1 0.00000 0.00000 0.00000 -1.00236 0.00000 32 13D+2 0.00000 0.77456 0.72793 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00843 0.00000 0.00000 0.03464 0.03464 35 2S 0.01947 0.00000 0.00000 0.10539 0.10539 36 3S -0.05779 0.00000 0.00000 -0.97488 -0.97488 37 4S -0.84580 0.00000 0.00000 2.49896 2.49896 38 5S -3.01610 0.00000 0.00000 -0.19542 -0.19542 39 6PX -0.06667 -0.11242 -0.02642 0.05395 -0.24414 40 6PY -0.06667 0.03334 0.11057 -0.24414 0.05395 41 6PZ -0.06667 0.07909 -0.08415 -0.24414 -0.24414 42 7PX -0.29117 0.01302 0.00306 -0.12033 0.28378 43 7PY -0.29117 -0.00386 -0.01280 0.28378 -0.12033 44 7PZ -0.29117 -0.00916 0.00974 0.28378 0.28378 45 8PX -1.09176 -0.23447 -0.05509 0.23755 -0.02559 46 8PY -1.09176 0.06953 0.23060 -0.02559 0.23755 47 8PZ -1.09176 0.16495 -0.17551 -0.02559 -0.02559 48 9D 0 0.00000 0.05441 -0.05789 0.04285 0.04285 49 9D+1 0.00243 -0.01955 -0.06485 0.06842 -0.04084 50 9D-1 0.00243 0.06594 0.01549 -0.04084 0.06842 51 9D+2 0.00000 -0.05789 -0.05441 -0.07421 0.07421 52 9D-2 0.00243 -0.04638 0.04936 0.06842 0.06842 53 3 C 1S 0.00843 0.00000 0.00000 -0.03464 -0.03464 54 2S 0.01947 0.00000 0.00000 -0.10539 -0.10539 55 3S -0.05779 0.00000 0.00000 0.97488 0.97488 56 4S -0.84580 0.00000 0.00000 -2.49896 -2.49896 57 5S -3.01610 0.00000 0.00000 0.19542 0.19542 58 6PX 0.06667 0.11242 0.02642 0.05395 -0.24414 59 6PY 0.06667 -0.03334 -0.11057 -0.24414 0.05395 60 6PZ -0.06667 0.07909 -0.08415 0.24414 0.24414 61 7PX 0.29117 -0.01302 -0.00306 -0.12033 0.28378 62 7PY 0.29117 0.00386 0.01280 0.28378 -0.12033 63 7PZ -0.29117 -0.00916 0.00974 -0.28378 -0.28378 64 8PX 1.09176 0.23447 0.05509 0.23755 -0.02559 65 8PY 1.09176 -0.06953 -0.23060 -0.02559 0.23755 66 8PZ -1.09176 0.16495 -0.17551 0.02559 0.02559 67 9D 0 0.00000 0.05441 -0.05789 -0.04285 -0.04285 68 9D+1 -0.00243 0.01955 0.06485 0.06842 -0.04084 69 9D-1 -0.00243 -0.06594 -0.01549 -0.04084 0.06842 70 9D+2 0.00000 -0.05789 -0.05441 0.07421 -0.07421 71 9D-2 0.00243 -0.04638 0.04936 -0.06842 -0.06842 72 4 C 1S 0.00843 0.00000 0.00000 -0.03464 0.03464 73 2S 0.01947 0.00000 0.00000 -0.10539 0.10539 74 3S -0.05779 0.00000 0.00000 0.97488 -0.97488 75 4S -0.84580 0.00000 0.00000 -2.49896 2.49896 76 5S -3.01610 0.00000 0.00000 0.19542 -0.19542 77 6PX 0.06667 0.11242 0.02642 0.05395 0.24414 78 6PY -0.06667 0.03334 0.11057 0.24414 0.05395 79 6PZ 0.06667 -0.07909 0.08415 -0.24414 0.24414 80 7PX 0.29117 -0.01302 -0.00306 -0.12033 -0.28378 81 7PY -0.29117 -0.00386 -0.01280 -0.28378 -0.12033 82 7PZ 0.29117 0.00916 -0.00974 0.28378 -0.28378 83 8PX 1.09176 0.23447 0.05509 0.23755 0.02559 84 8PY -1.09176 0.06953 0.23060 0.02559 0.23755 85 8PZ 1.09176 -0.16495 0.17551 -0.02559 0.02559 86 9D 0 0.00000 0.05441 -0.05789 -0.04285 0.04285 87 9D+1 0.00243 -0.01955 -0.06485 -0.06842 -0.04084 88 9D-1 -0.00243 -0.06594 -0.01549 -0.04084 -0.06842 89 9D+2 0.00000 -0.05789 -0.05441 0.07421 0.07421 90 9D-2 -0.00243 0.04638 -0.04936 0.06842 -0.06842 91 5 C 1S 0.00843 0.00000 0.00000 0.03464 -0.03464 92 2S 0.01947 0.00000 0.00000 0.10539 -0.10539 93 3S -0.05779 0.00000 0.00000 -0.97488 0.97488 94 4S -0.84580 0.00000 0.00000 2.49896 -2.49896 95 5S -3.01610 0.00000 0.00000 -0.19542 0.19542 96 6PX -0.06667 -0.11242 -0.02642 0.05395 0.24414 97 6PY 0.06667 -0.03334 -0.11057 0.24414 0.05395 98 6PZ 0.06667 -0.07909 0.08415 0.24414 -0.24414 99 7PX -0.29117 0.01302 0.00306 -0.12033 -0.28378 100 7PY 0.29117 0.00386 0.01280 -0.28378 -0.12033 101 7PZ 0.29117 0.00916 -0.00974 -0.28378 0.28378 102 8PX -1.09176 -0.23447 -0.05509 0.23755 0.02559 103 8PY 1.09176 -0.06953 -0.23060 0.02559 0.23755 104 8PZ 1.09176 -0.16495 0.17551 0.02559 -0.02559 105 9D 0 0.00000 0.05441 -0.05789 0.04285 -0.04285 106 9D+1 -0.00243 0.01955 0.06485 -0.06842 -0.04084 107 9D-1 0.00243 0.06594 0.01549 -0.04084 -0.06842 108 9D+2 0.00000 -0.05789 -0.05441 -0.07421 -0.07421 109 9D-2 -0.00243 0.04638 -0.04936 -0.06842 0.06842 110 6 O 1S 0.02034 0.00000 0.00000 -0.01370 -0.01370 111 2S 0.03903 0.00000 0.00000 -0.03539 -0.03539 112 3S 0.11755 0.00000 0.00000 0.09563 0.09563 113 4S -1.49364 0.00000 0.00000 0.09204 0.09204 114 5S 4.78585 0.00000 0.00000 -1.17636 -1.17636 115 6PX -0.06398 0.01457 0.00342 -0.05363 -0.06041 116 6PY -0.06398 -0.00432 -0.01433 -0.06041 -0.05363 117 6PZ -0.06398 -0.01025 0.01091 -0.06041 -0.06041 118 7PX -0.12938 -0.02408 -0.00566 0.05304 0.01068 119 7PY -0.12938 0.00714 0.02369 0.01068 0.05304 120 7PZ -0.12938 0.01694 -0.01803 0.01068 0.01068 121 8PX -0.46337 0.21273 0.04998 0.35031 0.37717 122 8PY -0.46337 -0.06308 -0.20922 0.37717 0.35031 123 8PZ -0.46337 -0.14965 0.15924 0.37717 0.37717 124 9D 0 0.00000 -0.01796 0.01911 0.00590 0.00590 125 9D+1 -0.01276 0.00421 0.01395 -0.03538 -0.04725 126 9D-1 -0.01276 -0.01419 -0.00333 -0.04725 -0.03538 127 9D+2 0.00000 0.01911 0.01796 -0.01022 0.01022 128 9D-2 -0.01276 0.00998 -0.01062 -0.03538 -0.03538 129 7 O 1S 0.02034 0.00000 0.00000 0.01370 -0.01370 130 2S 0.03903 0.00000 0.00000 0.03539 -0.03539 131 3S 0.11755 0.00000 0.00000 -0.09563 0.09563 132 4S -1.49364 0.00000 0.00000 -0.09204 0.09204 133 5S 4.78585 0.00000 0.00000 1.17636 -1.17636 134 6PX 0.06398 -0.01457 -0.00342 -0.05363 0.06041 135 6PY -0.06398 -0.00432 -0.01433 0.06041 -0.05363 136 6PZ 0.06398 0.01025 -0.01091 -0.06041 0.06041 137 7PX 0.12938 0.02408 0.00566 0.05304 -0.01068 138 7PY -0.12938 0.00714 0.02369 -0.01068 0.05304 139 7PZ 0.12938 -0.01694 0.01803 0.01068 -0.01068 140 8PX 0.46337 -0.21273 -0.04998 0.35031 -0.37717 141 8PY -0.46337 -0.06308 -0.20922 -0.37717 0.35031 142 8PZ 0.46337 0.14965 -0.15924 0.37717 -0.37717 143 9D 0 0.00000 -0.01796 0.01911 -0.00590 0.00590 144 9D+1 -0.01276 0.00421 0.01395 0.03538 -0.04725 145 9D-1 0.01276 0.01419 0.00333 -0.04725 0.03538 146 9D+2 0.00000 0.01911 0.01796 0.01022 0.01022 147 9D-2 0.01276 -0.00998 0.01062 -0.03538 0.03538 148 8 O 1S 0.02034 0.00000 0.00000 -0.01370 0.01370 149 2S 0.03903 0.00000 0.00000 -0.03539 0.03539 150 3S 0.11755 0.00000 0.00000 0.09563 -0.09563 151 4S -1.49364 0.00000 0.00000 0.09204 -0.09204 152 5S 4.78585 0.00000 0.00000 -1.17636 1.17636 153 6PX -0.06398 0.01457 0.00342 -0.05363 0.06041 154 6PY 0.06398 0.00432 0.01433 0.06041 -0.05363 155 6PZ 0.06398 0.01025 -0.01091 0.06041 -0.06041 156 7PX -0.12938 -0.02408 -0.00566 0.05304 -0.01068 157 7PY 0.12938 -0.00714 -0.02369 -0.01068 0.05304 158 7PZ 0.12938 -0.01694 0.01803 -0.01068 0.01068 159 8PX -0.46337 0.21273 0.04998 0.35031 -0.37717 160 8PY 0.46337 0.06308 0.20922 -0.37717 0.35031 161 8PZ 0.46337 0.14965 -0.15924 -0.37717 0.37717 162 9D 0 0.00000 -0.01796 0.01911 0.00590 -0.00590 163 9D+1 0.01276 -0.00421 -0.01395 0.03538 -0.04725 164 9D-1 -0.01276 -0.01419 -0.00333 -0.04725 0.03538 165 9D+2 0.00000 0.01911 0.01796 -0.01022 -0.01022 166 9D-2 0.01276 -0.00998 0.01062 0.03538 -0.03538 167 9 O 1S 0.02034 0.00000 0.00000 0.01370 0.01370 168 2S 0.03903 0.00000 0.00000 0.03539 0.03539 169 3S 0.11755 0.00000 0.00000 -0.09563 -0.09563 170 4S -1.49364 0.00000 0.00000 -0.09204 -0.09204 171 5S 4.78585 0.00000 0.00000 1.17636 1.17636 172 6PX 0.06398 -0.01457 -0.00342 -0.05363 -0.06041 173 6PY 0.06398 0.00432 0.01433 -0.06041 -0.05363 174 6PZ -0.06398 -0.01025 0.01091 0.06041 0.06041 175 7PX 0.12938 0.02408 0.00566 0.05304 0.01068 176 7PY 0.12938 -0.00714 -0.02369 0.01068 0.05304 177 7PZ -0.12938 0.01694 -0.01803 -0.01068 -0.01068 178 8PX 0.46337 -0.21273 -0.04998 0.35031 0.37717 179 8PY 0.46337 0.06308 0.20922 0.37717 0.35031 180 8PZ -0.46337 -0.14965 0.15924 -0.37717 -0.37717 181 9D 0 0.00000 -0.01796 0.01911 -0.00590 -0.00590 182 9D+1 0.01276 -0.00421 -0.01395 -0.03538 -0.04725 183 9D-1 0.01276 0.01419 0.00333 -0.04725 -0.03538 184 9D+2 0.00000 0.01911 0.01796 0.01022 -0.01022 185 9D-2 -0.01276 0.00998 -0.01062 0.03538 0.03538 96 97 98 99 100 (T2)--V (T1)--V (T1)--V (T1)--V (T2)--V Eigenvalues -- 1.30201 1.38466 1.38466 1.38466 1.38483 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.08364 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ -0.03001 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 -0.27658 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.09516 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.17062 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ -0.00166 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.87762 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ -1.05284 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.21215 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.15804 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.14685 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.21522 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.56061 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 -1.00236 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.03464 0.00000 0.00000 0.00000 0.03932 35 2S 0.10539 0.00000 0.00000 0.00000 0.11913 36 3S -0.97488 0.00000 0.00000 0.00000 -0.87803 37 4S 2.49896 0.00000 0.00000 0.00000 1.45222 38 5S -0.19542 0.00000 0.00000 0.00000 -1.27722 39 6PX -0.24414 -0.41947 0.00000 -0.41947 0.38370 40 6PY -0.24414 0.00000 -0.41947 0.41947 0.08805 41 6PZ 0.05395 0.41947 0.41947 0.00000 0.08805 42 7PX 0.28378 0.61581 0.00000 0.61581 -0.32664 43 7PY 0.28378 0.00000 0.61581 -0.61581 0.08818 44 7PZ -0.12033 -0.61581 -0.61581 0.00000 0.08818 45 8PX -0.02559 -0.50818 0.00000 -0.50818 0.81303 46 8PY -0.02559 0.00000 -0.50818 0.50818 0.37203 47 8PZ 0.23755 0.50818 0.50818 0.00000 0.37203 48 9D 0 -0.08570 0.06687 0.06687 0.00000 -0.03299 49 9D+1 0.06842 0.00000 0.07920 -0.07920 0.04527 50 9D-1 0.06842 0.07920 0.00000 0.07920 -0.05422 51 9D+2 0.00000 -0.03861 0.03861 -0.07721 0.05714 52 9D-2 -0.04084 -0.07920 -0.07920 0.00000 0.04527 53 3 C 1S 0.03464 0.00000 0.00000 0.00000 -0.03932 54 2S 0.10539 0.00000 0.00000 0.00000 -0.11913 55 3S -0.97488 0.00000 0.00000 0.00000 0.87803 56 4S 2.49896 0.00000 0.00000 0.00000 -1.45222 57 5S -0.19542 0.00000 0.00000 0.00000 1.27722 58 6PX 0.24414 -0.41947 0.00000 0.41947 0.38370 59 6PY 0.24414 0.00000 -0.41947 -0.41947 0.08805 60 6PZ 0.05395 -0.41947 -0.41947 0.00000 -0.08805 61 7PX -0.28378 0.61581 0.00000 -0.61581 -0.32664 62 7PY -0.28378 0.00000 0.61581 0.61581 0.08818 63 7PZ -0.12033 0.61581 0.61581 0.00000 -0.08818 64 8PX 0.02559 -0.50818 0.00000 0.50818 0.81303 65 8PY 0.02559 0.00000 -0.50818 -0.50818 0.37203 66 8PZ 0.23755 -0.50818 -0.50818 0.00000 -0.37203 67 9D 0 -0.08570 -0.06687 -0.06687 0.00000 0.03299 68 9D+1 -0.06842 0.00000 0.07920 0.07920 0.04527 69 9D-1 -0.06842 0.07920 0.00000 -0.07920 -0.05422 70 9D+2 0.00000 0.03861 -0.03861 -0.07721 -0.05714 71 9D-2 -0.04084 0.07920 0.07920 0.00000 -0.04527 72 4 C 1S -0.03464 0.00000 0.00000 0.00000 -0.03932 73 2S -0.10539 0.00000 0.00000 0.00000 -0.11913 74 3S 0.97488 0.00000 0.00000 0.00000 0.87803 75 4S -2.49896 0.00000 0.00000 0.00000 -1.45222 76 5S 0.19542 0.00000 0.00000 0.00000 1.27722 77 6PX -0.24414 0.41947 0.00000 -0.41947 0.38370 78 6PY 0.24414 0.00000 0.41947 -0.41947 -0.08805 79 6PZ 0.05395 -0.41947 0.41947 0.00000 0.08805 80 7PX 0.28378 -0.61581 0.00000 0.61581 -0.32664 81 7PY -0.28378 0.00000 -0.61581 0.61581 -0.08818 82 7PZ -0.12033 0.61581 -0.61581 0.00000 0.08818 83 8PX -0.02559 0.50818 0.00000 -0.50818 0.81303 84 8PY 0.02559 0.00000 0.50818 -0.50818 -0.37203 85 8PZ 0.23755 -0.50818 0.50818 0.00000 0.37203 86 9D 0 0.08570 0.06687 -0.06687 0.00000 0.03299 87 9D+1 -0.06842 0.00000 -0.07920 0.07920 -0.04527 88 9D-1 0.06842 -0.07920 0.00000 0.07920 -0.05422 89 9D+2 0.00000 -0.03861 -0.03861 0.07721 -0.05714 90 9D-2 -0.04084 0.07920 -0.07920 0.00000 0.04527 91 5 C 1S -0.03464 0.00000 0.00000 0.00000 0.03932 92 2S -0.10539 0.00000 0.00000 0.00000 0.11913 93 3S 0.97488 0.00000 0.00000 0.00000 -0.87803 94 4S -2.49896 0.00000 0.00000 0.00000 1.45222 95 5S 0.19542 0.00000 0.00000 0.00000 -1.27722 96 6PX 0.24414 0.41947 0.00000 0.41947 0.38370 97 6PY -0.24414 0.00000 0.41947 0.41947 -0.08805 98 6PZ 0.05395 0.41947 -0.41947 0.00000 -0.08805 99 7PX -0.28378 -0.61581 0.00000 -0.61581 -0.32664 100 7PY 0.28378 0.00000 -0.61581 -0.61581 -0.08818 101 7PZ -0.12033 -0.61581 0.61581 0.00000 -0.08818 102 8PX 0.02559 0.50818 0.00000 0.50818 0.81303 103 8PY -0.02559 0.00000 0.50818 0.50818 -0.37203 104 8PZ 0.23755 0.50818 -0.50818 0.00000 -0.37203 105 9D 0 0.08570 -0.06687 0.06687 0.00000 -0.03299 106 9D+1 0.06842 0.00000 -0.07920 -0.07920 -0.04527 107 9D-1 -0.06842 -0.07920 0.00000 -0.07920 -0.05422 108 9D+2 0.00000 0.03861 0.03861 0.07721 0.05714 109 9D-2 -0.04084 -0.07920 0.07920 0.00000 -0.04527 110 6 O 1S -0.01370 0.00000 0.00000 0.00000 0.00368 111 2S -0.03539 0.00000 0.00000 0.00000 0.00968 112 3S 0.09563 0.00000 0.00000 0.00000 -0.02148 113 4S 0.09204 0.00000 0.00000 0.00000 -0.04939 114 5S -1.17636 0.00000 0.00000 0.00000 -0.40229 115 6PX -0.06041 -0.00246 0.00000 -0.00246 0.01891 116 6PY -0.06041 0.00000 -0.00246 0.00246 0.03188 117 6PZ -0.05363 0.00246 0.00246 0.00000 0.03188 118 7PX 0.01068 -0.05029 0.00000 -0.05029 0.06851 119 7PY 0.01068 0.00000 -0.05029 0.05029 0.03863 120 7PZ 0.05304 0.05029 0.05029 0.00000 0.03863 121 8PX 0.37717 0.13532 0.00000 0.13532 -0.11078 122 8PY 0.37717 0.00000 0.13532 -0.13532 0.03033 123 8PZ 0.35031 -0.13532 -0.13532 0.00000 0.03033 124 9D 0 -0.01181 -0.03787 -0.03787 0.00000 0.01584 125 9D+1 -0.03538 0.00000 -0.01473 0.01473 0.00124 126 9D-1 -0.03538 -0.01473 0.00000 -0.01473 0.01802 127 9D+2 0.00000 0.02187 -0.02187 0.04373 -0.02744 128 9D-2 -0.04725 0.01473 0.01473 0.00000 0.00124 129 7 O 1S 0.01370 0.00000 0.00000 0.00000 -0.00368 130 2S 0.03539 0.00000 0.00000 0.00000 -0.00968 131 3S -0.09563 0.00000 0.00000 0.00000 0.02148 132 4S -0.09204 0.00000 0.00000 0.00000 0.04939 133 5S 1.17636 0.00000 0.00000 0.00000 0.40229 134 6PX -0.06041 0.00246 0.00000 -0.00246 0.01891 135 6PY 0.06041 0.00000 0.00246 -0.00246 -0.03188 136 6PZ -0.05363 -0.00246 0.00246 0.00000 0.03188 137 7PX 0.01068 0.05029 0.00000 -0.05029 0.06851 138 7PY -0.01068 0.00000 0.05029 -0.05029 -0.03863 139 7PZ 0.05304 -0.05029 0.05029 0.00000 0.03863 140 8PX 0.37717 -0.13532 0.00000 0.13532 -0.11078 141 8PY -0.37717 0.00000 -0.13532 0.13532 -0.03033 142 8PZ 0.35031 0.13532 -0.13532 0.00000 0.03033 143 9D 0 0.01181 -0.03787 0.03787 0.00000 -0.01584 144 9D+1 0.03538 0.00000 0.01473 -0.01473 -0.00124 145 9D-1 -0.03538 0.01473 0.00000 -0.01473 0.01802 146 9D+2 0.00000 0.02187 0.02187 -0.04373 0.02744 147 9D-2 -0.04725 -0.01473 0.01473 0.00000 0.00124 148 8 O 1S 0.01370 0.00000 0.00000 0.00000 0.00368 149 2S 0.03539 0.00000 0.00000 0.00000 0.00968 150 3S -0.09563 0.00000 0.00000 0.00000 -0.02148 151 4S -0.09204 0.00000 0.00000 0.00000 -0.04939 152 5S 1.17636 0.00000 0.00000 0.00000 -0.40229 153 6PX 0.06041 0.00246 0.00000 0.00246 0.01891 154 6PY -0.06041 0.00000 0.00246 0.00246 -0.03188 155 6PZ -0.05363 0.00246 -0.00246 0.00000 -0.03188 156 7PX -0.01068 0.05029 0.00000 0.05029 0.06851 157 7PY 0.01068 0.00000 0.05029 0.05029 -0.03863 158 7PZ 0.05304 0.05029 -0.05029 0.00000 -0.03863 159 8PX -0.37717 -0.13532 0.00000 -0.13532 -0.11078 160 8PY 0.37717 0.00000 -0.13532 -0.13532 -0.03033 161 8PZ 0.35031 -0.13532 0.13532 0.00000 -0.03033 162 9D 0 0.01181 0.03787 -0.03787 0.00000 0.01584 163 9D+1 -0.03538 0.00000 0.01473 0.01473 -0.00124 164 9D-1 0.03538 0.01473 0.00000 0.01473 0.01802 165 9D+2 0.00000 -0.02187 -0.02187 -0.04373 -0.02744 166 9D-2 -0.04725 0.01473 -0.01473 0.00000 -0.00124 167 9 O 1S -0.01370 0.00000 0.00000 0.00000 -0.00368 168 2S -0.03539 0.00000 0.00000 0.00000 -0.00968 169 3S 0.09563 0.00000 0.00000 0.00000 0.02148 170 4S 0.09204 0.00000 0.00000 0.00000 0.04939 171 5S -1.17636 0.00000 0.00000 0.00000 0.40229 172 6PX 0.06041 -0.00246 0.00000 0.00246 0.01891 173 6PY 0.06041 0.00000 -0.00246 -0.00246 0.03188 174 6PZ -0.05363 -0.00246 -0.00246 0.00000 -0.03188 175 7PX -0.01068 -0.05029 0.00000 0.05029 0.06851 176 7PY -0.01068 0.00000 -0.05029 -0.05029 0.03863 177 7PZ 0.05304 -0.05029 -0.05029 0.00000 -0.03863 178 8PX -0.37717 0.13532 0.00000 -0.13532 -0.11078 179 8PY -0.37717 0.00000 0.13532 0.13532 0.03033 180 8PZ 0.35031 0.13532 0.13532 0.00000 -0.03033 181 9D 0 -0.01181 0.03787 0.03787 0.00000 -0.01584 182 9D+1 0.03538 0.00000 -0.01473 -0.01473 0.00124 183 9D-1 0.03538 -0.01473 0.00000 0.01473 0.01802 184 9D+2 0.00000 -0.02187 0.02187 0.04373 0.02744 185 9D-2 -0.04725 -0.01473 -0.01473 0.00000 -0.00124 101 102 103 104 105 (T2)--V (T2)--V (E)--V (E)--V (T2)--V Eigenvalues -- 1.38483 1.38483 1.41588 1.41588 1.42391 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.08364 0.00000 0.00000 0.00000 9 7PZ 0.08364 0.00000 0.00000 0.00000 -0.01973 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 -0.27658 0.00000 0.00000 0.00000 12 8PZ -0.27658 0.00000 0.00000 0.00000 0.07269 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.17062 0.00000 0.00000 0.00000 15 9PZ 0.17062 0.00000 0.00000 0.00000 -0.10978 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.87762 0.00000 0.00000 0.00000 18 10PZ 0.87762 0.00000 0.00000 0.00000 1.23728 19 11D 0 0.00000 0.00000 0.03475 -0.00298 0.00000 20 11D+1 0.00000 -0.21215 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00298 0.03475 0.00000 23 11D-2 -0.21215 0.00000 0.00000 0.00000 -0.05798 24 12D 0 0.00000 0.00000 0.06504 -0.00558 0.00000 25 12D+1 0.00000 -0.14685 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00558 0.06504 0.00000 28 12D-2 -0.14685 0.00000 0.00000 0.00000 -0.11056 29 13D 0 0.00000 0.00000 -0.33726 0.02892 0.00000 30 13D+1 0.00000 0.56061 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 -0.02892 -0.33726 0.00000 33 13D-2 0.56061 0.00000 0.00000 0.00000 0.60422 34 2 C 1S 0.03932 0.03932 0.00000 0.00000 0.03370 35 2S 0.11913 0.11913 0.00000 0.00000 0.10239 36 3S -0.87803 -0.87803 0.00000 0.00000 -0.90482 37 4S 1.45222 1.45222 0.00000 0.00000 2.34617 38 5S -1.27722 -1.27722 0.00000 0.00000 -0.79831 39 6PX 0.08805 0.08805 0.20458 -0.43677 0.10257 40 6PY 0.08805 0.38370 0.27597 0.39556 0.10257 41 6PZ 0.38370 0.08805 -0.48055 0.04121 -0.46835 42 7PX 0.08818 0.08818 -0.31038 0.66264 0.28244 43 7PY 0.08818 -0.32664 -0.41867 -0.60011 0.28244 44 7PZ -0.32664 0.08818 0.72905 -0.06253 1.09448 45 8PX 0.37203 0.37203 0.12566 -0.26827 0.72811 46 8PY 0.37203 0.81303 0.16950 0.24296 0.72811 47 8PZ 0.81303 0.37203 -0.29516 0.02531 0.59879 48 9D 0 0.06598 -0.03299 -0.00177 0.00015 0.06580 49 9D+1 0.04527 -0.05422 0.07290 0.10449 0.02287 50 9D-1 0.04527 0.04527 0.05404 -0.11537 0.02287 51 9D+2 0.00000 -0.05714 -0.00015 -0.00177 0.00000 52 9D-2 -0.05422 0.04527 -0.12693 0.01089 -0.03558 53 3 C 1S 0.03932 -0.03932 0.00000 0.00000 0.03370 54 2S 0.11913 -0.11913 0.00000 0.00000 0.10239 55 3S -0.87803 0.87803 0.00000 0.00000 -0.90482 56 4S 1.45222 -1.45222 0.00000 0.00000 2.34617 57 5S -1.27722 1.27722 0.00000 0.00000 -0.79831 58 6PX -0.08805 0.08805 -0.20458 0.43677 -0.10257 59 6PY -0.08805 0.38370 -0.27597 -0.39556 -0.10257 60 6PZ 0.38370 -0.08805 -0.48055 0.04121 -0.46835 61 7PX -0.08818 0.08818 0.31038 -0.66264 -0.28244 62 7PY -0.08818 -0.32664 0.41867 0.60011 -0.28244 63 7PZ -0.32664 -0.08818 0.72905 -0.06253 1.09448 64 8PX -0.37203 0.37203 -0.12566 0.26827 -0.72811 65 8PY -0.37203 0.81303 -0.16950 -0.24296 -0.72811 66 8PZ 0.81303 -0.37203 -0.29516 0.02531 0.59879 67 9D 0 0.06598 0.03299 -0.00177 0.00015 0.06580 68 9D+1 -0.04527 -0.05422 -0.07290 -0.10449 -0.02287 69 9D-1 -0.04527 0.04527 -0.05404 0.11537 -0.02287 70 9D+2 0.00000 0.05714 -0.00015 -0.00177 0.00000 71 9D-2 -0.05422 -0.04527 -0.12693 0.01089 -0.03558 72 4 C 1S -0.03932 0.03932 0.00000 0.00000 -0.03370 73 2S -0.11913 0.11913 0.00000 0.00000 -0.10239 74 3S 0.87803 -0.87803 0.00000 0.00000 0.90482 75 4S -1.45222 1.45222 0.00000 0.00000 -2.34617 76 5S 1.27722 -1.27722 0.00000 0.00000 0.79831 77 6PX 0.08805 -0.08805 -0.20458 0.43677 0.10257 78 6PY -0.08805 0.38370 0.27597 0.39556 -0.10257 79 6PZ 0.38370 -0.08805 0.48055 -0.04121 -0.46835 80 7PX 0.08818 -0.08818 0.31038 -0.66264 0.28244 81 7PY -0.08818 -0.32664 -0.41867 -0.60011 -0.28244 82 7PZ -0.32664 -0.08818 -0.72905 0.06253 1.09448 83 8PX 0.37203 -0.37203 -0.12566 0.26827 0.72811 84 8PY -0.37203 0.81303 0.16950 0.24296 -0.72811 85 8PZ 0.81303 -0.37203 0.29516 -0.02531 0.59879 86 9D 0 -0.06598 -0.03299 -0.00177 0.00015 -0.06580 87 9D+1 -0.04527 -0.05422 0.07290 0.10449 -0.02287 88 9D-1 0.04527 -0.04527 -0.05404 0.11537 0.02287 89 9D+2 0.00000 -0.05714 -0.00015 -0.00177 0.00000 90 9D-2 -0.05422 -0.04527 0.12693 -0.01089 -0.03558 91 5 C 1S -0.03932 -0.03932 0.00000 0.00000 -0.03370 92 2S -0.11913 -0.11913 0.00000 0.00000 -0.10239 93 3S 0.87803 0.87803 0.00000 0.00000 0.90482 94 4S -1.45222 -1.45222 0.00000 0.00000 -2.34617 95 5S 1.27722 1.27722 0.00000 0.00000 0.79831 96 6PX -0.08805 -0.08805 0.20458 -0.43677 -0.10257 97 6PY 0.08805 0.38370 -0.27597 -0.39556 0.10257 98 6PZ 0.38370 0.08805 0.48055 -0.04121 -0.46835 99 7PX -0.08818 -0.08818 -0.31038 0.66264 -0.28244 100 7PY 0.08818 -0.32664 0.41867 0.60011 0.28244 101 7PZ -0.32664 0.08818 -0.72905 0.06253 1.09448 102 8PX -0.37203 -0.37203 0.12566 -0.26827 -0.72811 103 8PY 0.37203 0.81303 -0.16950 -0.24296 0.72811 104 8PZ 0.81303 0.37203 0.29516 -0.02531 0.59879 105 9D 0 -0.06598 0.03299 -0.00177 0.00015 -0.06580 106 9D+1 0.04527 -0.05422 -0.07290 -0.10449 0.02287 107 9D-1 -0.04527 -0.04527 0.05404 -0.11537 -0.02287 108 9D+2 0.00000 0.05714 -0.00015 -0.00177 0.00000 109 9D-2 -0.05422 0.04527 0.12693 -0.01089 -0.03558 110 6 O 1S 0.00368 0.00368 0.00000 0.00000 -0.00916 111 2S 0.00968 0.00968 0.00000 0.00000 -0.02429 112 3S -0.02148 -0.02148 0.00000 0.00000 0.07651 113 4S -0.04939 -0.04939 0.00000 0.00000 0.00862 114 5S -0.40229 -0.40229 0.00000 0.00000 -1.99601 115 6PX 0.03188 0.03188 0.01695 -0.03619 0.00964 116 6PY 0.03188 0.01891 0.02287 0.03278 0.00964 117 6PZ 0.01891 0.03188 -0.03982 0.00342 -0.02568 118 7PX 0.03863 0.03863 0.02973 -0.06346 0.13332 119 7PY 0.03863 0.06851 0.04010 0.05748 0.13332 120 7PZ 0.06851 0.03863 -0.06982 0.00599 0.06335 121 8PX 0.03033 0.03033 -0.00209 0.00445 0.35873 122 8PY 0.03033 -0.11078 -0.00281 -0.00403 0.35873 123 8PZ -0.11078 0.03033 0.00490 -0.00042 0.26067 124 9D 0 -0.03169 0.01584 -0.01904 0.00163 -0.01152 125 9D+1 0.00124 0.01802 0.00495 0.00710 -0.03645 126 9D-1 0.00124 0.00124 0.00367 -0.00784 -0.03645 127 9D+2 0.00000 0.02744 -0.00163 -0.01904 0.00000 128 9D-2 0.01802 0.00124 -0.00863 0.00074 -0.03110 129 7 O 1S -0.00368 0.00368 0.00000 0.00000 0.00916 130 2S -0.00968 0.00968 0.00000 0.00000 0.02429 131 3S 0.02148 -0.02148 0.00000 0.00000 -0.07651 132 4S 0.04939 -0.04939 0.00000 0.00000 -0.00862 133 5S 0.40229 -0.40229 0.00000 0.00000 1.99601 134 6PX 0.03188 -0.03188 -0.01695 0.03619 0.00964 135 6PY -0.03188 0.01891 0.02287 0.03278 -0.00964 136 6PZ 0.01891 -0.03188 0.03982 -0.00342 -0.02568 137 7PX 0.03863 -0.03863 -0.02973 0.06346 0.13332 138 7PY -0.03863 0.06851 0.04010 0.05748 -0.13332 139 7PZ 0.06851 -0.03863 0.06982 -0.00599 0.06335 140 8PX 0.03033 -0.03033 0.00209 -0.00445 0.35873 141 8PY -0.03033 -0.11078 -0.00281 -0.00403 -0.35873 142 8PZ -0.11078 -0.03033 -0.00490 0.00042 0.26067 143 9D 0 0.03169 0.01584 -0.01904 0.00163 0.01152 144 9D+1 -0.00124 0.01802 0.00495 0.00710 0.03645 145 9D-1 0.00124 -0.00124 -0.00367 0.00784 -0.03645 146 9D+2 0.00000 0.02744 -0.00163 -0.01904 0.00000 147 9D-2 0.01802 -0.00124 0.00863 -0.00074 -0.03110 148 8 O 1S -0.00368 -0.00368 0.00000 0.00000 0.00916 149 2S -0.00968 -0.00968 0.00000 0.00000 0.02429 150 3S 0.02148 0.02148 0.00000 0.00000 -0.07651 151 4S 0.04939 0.04939 0.00000 0.00000 -0.00862 152 5S 0.40229 0.40229 0.00000 0.00000 1.99601 153 6PX -0.03188 -0.03188 0.01695 -0.03619 -0.00964 154 6PY 0.03188 0.01891 -0.02287 -0.03278 0.00964 155 6PZ 0.01891 0.03188 0.03982 -0.00342 -0.02568 156 7PX -0.03863 -0.03863 0.02973 -0.06346 -0.13332 157 7PY 0.03863 0.06851 -0.04010 -0.05748 0.13332 158 7PZ 0.06851 0.03863 0.06982 -0.00599 0.06335 159 8PX -0.03033 -0.03033 -0.00209 0.00445 -0.35873 160 8PY 0.03033 -0.11078 0.00281 0.00403 0.35873 161 8PZ -0.11078 0.03033 -0.00490 0.00042 0.26067 162 9D 0 0.03169 -0.01584 -0.01904 0.00163 0.01152 163 9D+1 0.00124 0.01802 -0.00495 -0.00710 -0.03645 164 9D-1 -0.00124 -0.00124 0.00367 -0.00784 0.03645 165 9D+2 0.00000 -0.02744 -0.00163 -0.01904 0.00000 166 9D-2 0.01802 0.00124 0.00863 -0.00074 -0.03110 167 9 O 1S 0.00368 -0.00368 0.00000 0.00000 -0.00916 168 2S 0.00968 -0.00968 0.00000 0.00000 -0.02429 169 3S -0.02148 0.02148 0.00000 0.00000 0.07651 170 4S -0.04939 0.04939 0.00000 0.00000 0.00862 171 5S -0.40229 0.40229 0.00000 0.00000 -1.99601 172 6PX -0.03188 0.03188 -0.01695 0.03619 -0.00964 173 6PY -0.03188 0.01891 -0.02287 -0.03278 -0.00964 174 6PZ 0.01891 -0.03188 -0.03982 0.00342 -0.02568 175 7PX -0.03863 0.03863 -0.02973 0.06346 -0.13332 176 7PY -0.03863 0.06851 -0.04010 -0.05748 -0.13332 177 7PZ 0.06851 -0.03863 -0.06982 0.00599 0.06335 178 8PX -0.03033 0.03033 0.00209 -0.00445 -0.35873 179 8PY -0.03033 -0.11078 0.00281 0.00403 -0.35873 180 8PZ -0.11078 -0.03033 0.00490 -0.00042 0.26067 181 9D 0 -0.03169 -0.01584 -0.01904 0.00163 -0.01152 182 9D+1 -0.00124 0.01802 -0.00495 -0.00710 0.03645 183 9D-1 -0.00124 0.00124 -0.00367 0.00784 0.03645 184 9D+2 0.00000 -0.02744 -0.00163 -0.01904 0.00000 185 9D-2 0.01802 -0.00124 -0.00863 0.00074 -0.03110 106 107 108 109 110 (T2)--V (T2)--V (A1)--V (T1)--V (T1)--V Eigenvalues -- 1.42391 1.42391 1.43197 1.59828 1.59828 1 1 Ni 1S 0.00000 0.00000 -0.00168 0.00000 0.00000 2 2S 0.00000 0.00000 0.01151 0.00000 0.00000 3 3S 0.00000 0.00000 -0.00331 0.00000 0.00000 4 4S 0.00000 0.00000 -0.10839 0.00000 0.00000 5 5S 0.00000 0.00000 2.09719 0.00000 0.00000 6 6S 0.00000 0.00000 2.86939 0.00000 0.00000 7 7PX -0.01973 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 -0.01973 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.07269 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.07269 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX -0.10978 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 -0.10978 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 1.23728 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 1.23728 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 -0.05798 0.00000 0.00000 0.00000 21 11D-1 -0.05798 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -0.11056 0.00000 0.00000 0.00000 26 12D-1 -0.11056 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.60422 0.00000 0.00000 0.00000 31 13D-1 0.60422 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.03370 0.03370 0.05713 0.00000 0.00000 35 2S 0.10239 0.10239 0.17306 0.00000 0.00000 36 3S -0.90482 -0.90482 -1.57145 0.00000 0.00000 37 4S 2.34617 2.34617 3.89036 0.00000 0.00000 38 5S -0.79831 -0.79831 -1.94810 0.00000 0.00000 39 6PX -0.46835 0.10257 -0.14157 -0.01002 0.01002 40 6PY 0.10257 -0.46835 -0.14157 0.00000 -0.01002 41 6PZ 0.10257 0.10257 -0.14157 0.01002 0.00000 42 7PX 1.09448 0.28244 0.66563 0.03675 -0.03675 43 7PY 0.28244 1.09448 0.66563 0.00000 0.03675 44 7PZ 0.28244 0.28244 0.66563 -0.03675 0.00000 45 8PX 0.59879 0.72811 0.43149 -0.11172 0.11172 46 8PY 0.72811 0.59879 0.43149 0.00000 -0.11172 47 8PZ 0.72811 0.72811 0.43149 0.11172 0.00000 48 9D 0 -0.03290 -0.03290 0.00000 0.31046 0.00000 49 9D+1 0.02287 -0.03558 0.02368 0.00000 -0.22794 50 9D-1 -0.03558 0.02287 0.02368 -0.22794 0.22794 51 9D+2 0.05698 -0.05698 0.00000 -0.17924 0.35849 52 9D-2 0.02287 0.02287 0.02368 0.22794 0.00000 53 3 C 1S -0.03370 -0.03370 0.05713 0.00000 0.00000 54 2S -0.10239 -0.10239 0.17306 0.00000 0.00000 55 3S 0.90482 0.90482 -1.57145 0.00000 0.00000 56 4S -2.34617 -2.34617 3.89036 0.00000 0.00000 57 5S 0.79831 0.79831 -1.94810 0.00000 0.00000 58 6PX -0.46835 0.10257 0.14157 -0.01002 -0.01002 59 6PY 0.10257 -0.46835 0.14157 0.00000 0.01002 60 6PZ -0.10257 -0.10257 -0.14157 -0.01002 0.00000 61 7PX 1.09448 0.28244 -0.66563 0.03675 0.03675 62 7PY 0.28244 1.09448 -0.66563 0.00000 -0.03675 63 7PZ -0.28244 -0.28244 0.66563 0.03675 0.00000 64 8PX 0.59879 0.72811 -0.43149 -0.11172 -0.11172 65 8PY 0.72811 0.59879 -0.43149 0.00000 0.11172 66 8PZ -0.72811 -0.72811 0.43149 -0.11172 0.00000 67 9D 0 0.03290 0.03290 0.00000 -0.31046 0.00000 68 9D+1 0.02287 -0.03558 -0.02368 0.00000 0.22794 69 9D-1 -0.03558 0.02287 -0.02368 -0.22794 -0.22794 70 9D+2 -0.05698 0.05698 0.00000 0.17924 0.35849 71 9D-2 -0.02287 -0.02287 0.02368 -0.22794 0.00000 72 4 C 1S -0.03370 0.03370 0.05713 0.00000 0.00000 73 2S -0.10239 0.10239 0.17306 0.00000 0.00000 74 3S 0.90482 -0.90482 -1.57145 0.00000 0.00000 75 4S -2.34617 2.34617 3.89036 0.00000 0.00000 76 5S 0.79831 -0.79831 -1.94810 0.00000 0.00000 77 6PX -0.46835 -0.10257 0.14157 0.01002 0.01002 78 6PY -0.10257 -0.46835 -0.14157 0.00000 0.01002 79 6PZ 0.10257 -0.10257 0.14157 -0.01002 0.00000 80 7PX 1.09448 -0.28244 -0.66563 -0.03675 -0.03675 81 7PY -0.28244 1.09448 0.66563 0.00000 -0.03675 82 7PZ 0.28244 -0.28244 -0.66563 0.03675 0.00000 83 8PX 0.59879 -0.72811 -0.43149 0.11172 0.11172 84 8PY -0.72811 0.59879 0.43149 0.00000 0.11172 85 8PZ 0.72811 -0.72811 -0.43149 -0.11172 0.00000 86 9D 0 0.03290 -0.03290 0.00000 0.31046 0.00000 87 9D+1 -0.02287 -0.03558 0.02368 0.00000 0.22794 88 9D-1 -0.03558 -0.02287 -0.02368 0.22794 0.22794 89 9D+2 -0.05698 -0.05698 0.00000 -0.17924 -0.35849 90 9D-2 0.02287 -0.02287 -0.02368 -0.22794 0.00000 91 5 C 1S 0.03370 -0.03370 0.05713 0.00000 0.00000 92 2S 0.10239 -0.10239 0.17306 0.00000 0.00000 93 3S -0.90482 0.90482 -1.57145 0.00000 0.00000 94 4S 2.34617 -2.34617 3.89036 0.00000 0.00000 95 5S -0.79831 0.79831 -1.94810 0.00000 0.00000 96 6PX -0.46835 -0.10257 -0.14157 0.01002 -0.01002 97 6PY -0.10257 -0.46835 0.14157 0.00000 -0.01002 98 6PZ -0.10257 0.10257 0.14157 0.01002 0.00000 99 7PX 1.09448 -0.28244 0.66563 -0.03675 0.03675 100 7PY -0.28244 1.09448 -0.66563 0.00000 0.03675 101 7PZ -0.28244 0.28244 -0.66563 -0.03675 0.00000 102 8PX 0.59879 -0.72811 0.43149 0.11172 -0.11172 103 8PY -0.72811 0.59879 -0.43149 0.00000 -0.11172 104 8PZ -0.72811 0.72811 -0.43149 0.11172 0.00000 105 9D 0 -0.03290 0.03290 0.00000 -0.31046 0.00000 106 9D+1 -0.02287 -0.03558 -0.02368 0.00000 -0.22794 107 9D-1 -0.03558 -0.02287 0.02368 0.22794 -0.22794 108 9D+2 0.05698 0.05698 0.00000 0.17924 -0.35849 109 9D-2 -0.02287 0.02287 -0.02368 0.22794 0.00000 110 6 O 1S -0.00916 -0.00916 -0.01053 0.00000 0.00000 111 2S -0.02429 -0.02429 -0.02820 0.00000 0.00000 112 3S 0.07651 0.07651 0.10779 0.00000 0.00000 113 4S 0.00862 0.00862 -0.18371 0.00000 0.00000 114 5S -1.99601 -1.99601 -1.88203 0.00000 0.00000 115 6PX -0.02568 0.00964 -0.02626 0.00293 -0.00293 116 6PY 0.00964 -0.02568 -0.02626 0.00000 0.00293 117 6PZ 0.00964 0.00964 -0.02626 -0.00293 0.00000 118 7PX 0.06335 0.13332 0.13876 0.00703 -0.00703 119 7PY 0.13332 0.06335 0.13876 0.00000 0.00703 120 7PZ 0.13332 0.13332 0.13876 -0.00703 0.00000 121 8PX 0.26067 0.35873 0.47985 0.05832 -0.05832 122 8PY 0.35873 0.26067 0.47985 0.00000 0.05832 123 8PZ 0.35873 0.35873 0.47985 -0.05832 0.00000 124 9D 0 0.00576 0.00576 0.00000 0.01896 0.00000 125 9D+1 -0.03645 -0.03110 -0.05838 0.00000 -0.06276 126 9D-1 -0.03110 -0.03645 -0.05838 -0.06276 0.06276 127 9D+2 -0.00998 0.00998 0.00000 -0.01095 0.02189 128 9D-2 -0.03645 -0.03645 -0.05838 0.06276 0.00000 129 7 O 1S 0.00916 -0.00916 -0.01053 0.00000 0.00000 130 2S 0.02429 -0.02429 -0.02820 0.00000 0.00000 131 3S -0.07651 0.07651 0.10779 0.00000 0.00000 132 4S -0.00862 0.00862 -0.18371 0.00000 0.00000 133 5S 1.99601 -1.99601 -1.88203 0.00000 0.00000 134 6PX -0.02568 -0.00964 0.02626 -0.00293 -0.00293 135 6PY -0.00964 -0.02568 -0.02626 0.00000 -0.00293 136 6PZ 0.00964 -0.00964 0.02626 0.00293 0.00000 137 7PX 0.06335 -0.13332 -0.13876 -0.00703 -0.00703 138 7PY -0.13332 0.06335 0.13876 0.00000 -0.00703 139 7PZ 0.13332 -0.13332 -0.13876 0.00703 0.00000 140 8PX 0.26067 -0.35873 -0.47985 -0.05832 -0.05832 141 8PY -0.35873 0.26067 0.47985 0.00000 -0.05832 142 8PZ 0.35873 -0.35873 -0.47985 0.05832 0.00000 143 9D 0 -0.00576 0.00576 0.00000 0.01896 0.00000 144 9D+1 0.03645 -0.03110 -0.05838 0.00000 0.06276 145 9D-1 -0.03110 0.03645 0.05838 0.06276 0.06276 146 9D+2 0.00998 0.00998 0.00000 -0.01095 -0.02189 147 9D-2 -0.03645 0.03645 0.05838 -0.06276 0.00000 148 8 O 1S -0.00916 0.00916 -0.01053 0.00000 0.00000 149 2S -0.02429 0.02429 -0.02820 0.00000 0.00000 150 3S 0.07651 -0.07651 0.10779 0.00000 0.00000 151 4S 0.00862 -0.00862 -0.18371 0.00000 0.00000 152 5S -1.99601 1.99601 -1.88203 0.00000 0.00000 153 6PX -0.02568 -0.00964 -0.02626 -0.00293 0.00293 154 6PY -0.00964 -0.02568 0.02626 0.00000 0.00293 155 6PZ -0.00964 0.00964 0.02626 -0.00293 0.00000 156 7PX 0.06335 -0.13332 0.13876 -0.00703 0.00703 157 7PY -0.13332 0.06335 -0.13876 0.00000 0.00703 158 7PZ -0.13332 0.13332 -0.13876 -0.00703 0.00000 159 8PX 0.26067 -0.35873 0.47985 -0.05832 0.05832 160 8PY -0.35873 0.26067 -0.47985 0.00000 0.05832 161 8PZ -0.35873 0.35873 -0.47985 -0.05832 0.00000 162 9D 0 0.00576 -0.00576 0.00000 -0.01896 0.00000 163 9D+1 0.03645 -0.03110 0.05838 0.00000 -0.06276 164 9D-1 -0.03110 0.03645 -0.05838 0.06276 -0.06276 165 9D+2 -0.00998 -0.00998 0.00000 0.01095 -0.02189 166 9D-2 0.03645 -0.03645 0.05838 0.06276 0.00000 167 9 O 1S 0.00916 0.00916 -0.01053 0.00000 0.00000 168 2S 0.02429 0.02429 -0.02820 0.00000 0.00000 169 3S -0.07651 -0.07651 0.10779 0.00000 0.00000 170 4S -0.00862 -0.00862 -0.18371 0.00000 0.00000 171 5S 1.99601 1.99601 -1.88203 0.00000 0.00000 172 6PX -0.02568 0.00964 0.02626 0.00293 0.00293 173 6PY 0.00964 -0.02568 0.02626 0.00000 -0.00293 174 6PZ -0.00964 -0.00964 -0.02626 0.00293 0.00000 175 7PX 0.06335 0.13332 -0.13876 0.00703 0.00703 176 7PY 0.13332 0.06335 -0.13876 0.00000 -0.00703 177 7PZ -0.13332 -0.13332 0.13876 0.00703 0.00000 178 8PX 0.26067 0.35873 -0.47985 0.05832 0.05832 179 8PY 0.35873 0.26067 -0.47985 0.00000 -0.05832 180 8PZ -0.35873 -0.35873 0.47985 0.05832 0.00000 181 9D 0 -0.00576 -0.00576 0.00000 -0.01896 0.00000 182 9D+1 -0.03645 -0.03110 0.05838 0.00000 0.06276 183 9D-1 -0.03110 -0.03645 0.05838 -0.06276 -0.06276 184 9D+2 0.00998 -0.00998 0.00000 0.01095 0.02189 185 9D-2 0.03645 0.03645 -0.05838 -0.06276 0.00000 111 112 113 114 115 (T1)--V (T2)--V (T2)--V (T2)--V (E)--V Eigenvalues -- 1.59828 1.60276 1.60276 1.60276 1.60596 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 -0.03391 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.03391 0.00000 9 7PZ 0.00000 0.00000 -0.03391 0.00000 0.00000 10 8PX 0.00000 0.12789 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.12789 0.00000 12 8PZ 0.00000 0.00000 0.12789 0.00000 0.00000 13 9PX 0.00000 -0.25547 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -0.25547 0.00000 15 9PZ 0.00000 0.00000 -0.25547 0.00000 0.00000 16 10PX 0.00000 2.76995 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 2.76995 0.00000 18 10PZ 0.00000 0.00000 2.76995 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 -0.00231 20 11D+1 0.00000 0.00000 0.00000 -0.06438 0.00000 21 11D-1 0.00000 -0.06438 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.01127 23 11D-2 0.00000 0.00000 -0.06438 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00075 25 12D+1 0.00000 0.00000 0.00000 -0.16015 0.00000 26 12D-1 0.00000 -0.16015 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00367 28 12D-2 0.00000 0.00000 -0.16015 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00452 30 13D+1 0.00000 0.00000 0.00000 1.03074 0.00000 31 13D-1 0.00000 1.03074 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 -0.02201 33 13D-2 0.00000 0.00000 1.03074 0.00000 0.00000 34 2 C 1S 0.00000 0.00882 0.00882 0.00882 0.00000 35 2S 0.00000 0.02268 0.02268 0.02268 0.00000 36 3S 0.00000 -0.23792 -0.23792 -0.23792 0.00000 37 4S 0.00000 1.00768 1.00768 1.00768 0.00000 38 5S 0.00000 -0.95978 -0.95978 -0.95978 0.00000 39 6PX 0.00000 0.02426 -0.21572 -0.21572 -0.11031 40 6PY -0.01002 -0.21572 -0.21572 0.02426 0.08692 41 6PZ 0.01002 -0.21572 0.02426 -0.21572 0.02339 42 7PX 0.00000 0.50987 0.94037 0.94037 0.17308 43 7PY 0.03675 0.94037 0.94037 0.50987 -0.13638 44 7PZ -0.03675 0.94037 0.50987 0.94037 -0.03670 45 8PX 0.00000 0.76148 0.61262 0.61262 -0.11120 46 8PY -0.11172 0.61262 0.61262 0.76148 0.08762 47 8PZ 0.11172 0.61262 0.76148 0.61262 0.02358 48 9D 0 0.31046 -0.03543 0.07086 -0.03543 -0.07249 49 9D+1 -0.22794 -0.15460 -0.15460 0.28852 -0.18418 50 9D-1 0.00000 0.28852 -0.15460 -0.15460 0.23373 51 9D+2 0.17924 0.06137 0.00000 -0.06137 0.35294 52 9D-2 0.22794 -0.15460 0.28852 -0.15460 -0.04956 53 3 C 1S 0.00000 -0.00882 0.00882 -0.00882 0.00000 54 2S 0.00000 -0.02268 0.02268 -0.02268 0.00000 55 3S 0.00000 0.23792 -0.23792 0.23792 0.00000 56 4S 0.00000 -1.00768 1.00768 -1.00768 0.00000 57 5S 0.00000 0.95978 -0.95978 0.95978 0.00000 58 6PX 0.00000 0.02426 0.21572 -0.21572 0.11031 59 6PY -0.01002 -0.21572 0.21572 0.02426 -0.08692 60 6PZ -0.01002 0.21572 0.02426 0.21572 0.02339 61 7PX 0.00000 0.50987 -0.94037 0.94037 -0.17308 62 7PY 0.03675 0.94037 -0.94037 0.50987 0.13638 63 7PZ 0.03675 -0.94037 0.50987 -0.94037 -0.03670 64 8PX 0.00000 0.76148 -0.61262 0.61262 0.11120 65 8PY -0.11172 0.61262 -0.61262 0.76148 -0.08762 66 8PZ -0.11172 -0.61262 0.76148 -0.61262 0.02358 67 9D 0 -0.31046 0.03543 0.07086 0.03543 -0.07249 68 9D+1 -0.22794 -0.15460 0.15460 0.28852 0.18418 69 9D-1 0.00000 0.28852 0.15460 -0.15460 -0.23373 70 9D+2 -0.17924 -0.06137 0.00000 0.06137 0.35294 71 9D-2 -0.22794 0.15460 0.28852 0.15460 -0.04956 72 4 C 1S 0.00000 -0.00882 -0.00882 0.00882 0.00000 73 2S 0.00000 -0.02268 -0.02268 0.02268 0.00000 74 3S 0.00000 0.23792 0.23792 -0.23792 0.00000 75 4S 0.00000 -1.00768 -1.00768 1.00768 0.00000 76 5S 0.00000 0.95978 0.95978 -0.95978 0.00000 77 6PX 0.00000 0.02426 -0.21572 0.21572 0.11031 78 6PY 0.01002 0.21572 0.21572 0.02426 0.08692 79 6PZ 0.01002 -0.21572 0.02426 0.21572 -0.02339 80 7PX 0.00000 0.50987 0.94037 -0.94037 -0.17308 81 7PY -0.03675 -0.94037 -0.94037 0.50987 -0.13638 82 7PZ -0.03675 0.94037 0.50987 -0.94037 0.03670 83 8PX 0.00000 0.76148 0.61262 -0.61262 0.11120 84 8PY 0.11172 -0.61262 -0.61262 0.76148 0.08762 85 8PZ 0.11172 0.61262 0.76148 -0.61262 -0.02358 86 9D 0 -0.31046 0.03543 -0.07086 -0.03543 -0.07249 87 9D+1 0.22794 0.15460 0.15460 0.28852 -0.18418 88 9D-1 0.00000 0.28852 -0.15460 0.15460 -0.23373 89 9D+2 -0.17924 -0.06137 0.00000 -0.06137 0.35294 90 9D-2 0.22794 -0.15460 0.28852 0.15460 0.04956 91 5 C 1S 0.00000 0.00882 -0.00882 -0.00882 0.00000 92 2S 0.00000 0.02268 -0.02268 -0.02268 0.00000 93 3S 0.00000 -0.23792 0.23792 0.23792 0.00000 94 4S 0.00000 1.00768 -1.00768 -1.00768 0.00000 95 5S 0.00000 -0.95978 0.95978 0.95978 0.00000 96 6PX 0.00000 0.02426 0.21572 0.21572 -0.11031 97 6PY 0.01002 0.21572 -0.21572 0.02426 -0.08692 98 6PZ -0.01002 0.21572 0.02426 -0.21572 -0.02339 99 7PX 0.00000 0.50987 -0.94037 -0.94037 0.17308 100 7PY -0.03675 -0.94037 0.94037 0.50987 0.13638 101 7PZ 0.03675 -0.94037 0.50987 0.94037 0.03670 102 8PX 0.00000 0.76148 -0.61262 -0.61262 -0.11120 103 8PY 0.11172 -0.61262 0.61262 0.76148 -0.08762 104 8PZ -0.11172 -0.61262 0.76148 0.61262 -0.02358 105 9D 0 0.31046 -0.03543 -0.07086 0.03543 -0.07249 106 9D+1 0.22794 0.15460 -0.15460 0.28852 0.18418 107 9D-1 0.00000 0.28852 0.15460 0.15460 0.23373 108 9D+2 0.17924 0.06137 0.00000 0.06137 0.35294 109 9D-2 -0.22794 0.15460 0.28852 -0.15460 0.04956 110 6 O 1S 0.00000 -0.00311 -0.00311 -0.00311 0.00000 111 2S 0.00000 -0.00946 -0.00946 -0.00946 0.00000 112 3S 0.00000 0.05926 0.05926 0.05926 0.00000 113 4S 0.00000 -0.22232 -0.22232 -0.22232 0.00000 114 5S 0.00000 -1.48505 -1.48505 -1.48505 0.00000 115 6PX 0.00000 0.06196 -0.00276 -0.00276 -0.04180 116 6PY 0.00293 -0.00276 -0.00276 0.06196 0.03294 117 6PZ -0.00293 -0.00276 0.06196 -0.00276 0.00886 118 7PX 0.00000 0.15912 0.11231 0.11231 -0.01928 119 7PY 0.00703 0.11231 0.11231 0.15912 0.01519 120 7PZ -0.00703 0.11231 0.15912 0.11231 0.00409 121 8PX 0.00000 0.22178 0.19775 0.19775 0.02717 122 8PY 0.05832 0.19775 0.19775 0.22178 -0.02141 123 8PZ -0.05832 0.19775 0.22178 0.19775 -0.00576 124 9D 0 0.01896 -0.03647 0.07295 -0.03647 -0.00445 125 9D+1 -0.06276 -0.04324 -0.04324 -0.02004 -0.05237 126 9D-1 0.00000 -0.02004 -0.04324 -0.04324 0.06646 127 9D+2 0.01095 0.06317 0.00000 -0.06317 0.02168 128 9D-2 0.06276 -0.04324 -0.02004 -0.04324 -0.01409 129 7 O 1S 0.00000 0.00311 0.00311 -0.00311 0.00000 130 2S 0.00000 0.00946 0.00946 -0.00946 0.00000 131 3S 0.00000 -0.05926 -0.05926 0.05926 0.00000 132 4S 0.00000 0.22232 0.22232 -0.22232 0.00000 133 5S 0.00000 1.48505 1.48505 -1.48505 0.00000 134 6PX 0.00000 0.06196 -0.00276 0.00276 0.04180 135 6PY -0.00293 0.00276 0.00276 0.06196 0.03294 136 6PZ -0.00293 -0.00276 0.06196 0.00276 -0.00886 137 7PX 0.00000 0.15912 0.11231 -0.11231 0.01928 138 7PY -0.00703 -0.11231 -0.11231 0.15912 0.01519 139 7PZ -0.00703 0.11231 0.15912 -0.11231 -0.00409 140 8PX 0.00000 0.22178 0.19775 -0.19775 -0.02717 141 8PY -0.05832 -0.19775 -0.19775 0.22178 -0.02141 142 8PZ -0.05832 0.19775 0.22178 -0.19775 0.00576 143 9D 0 -0.01896 0.03647 -0.07295 -0.03647 -0.00445 144 9D+1 0.06276 0.04324 0.04324 -0.02004 -0.05237 145 9D-1 0.00000 -0.02004 -0.04324 0.04324 -0.06646 146 9D+2 -0.01095 -0.06317 0.00000 -0.06317 0.02168 147 9D-2 0.06276 -0.04324 -0.02004 0.04324 0.01409 148 8 O 1S 0.00000 -0.00311 0.00311 0.00311 0.00000 149 2S 0.00000 -0.00946 0.00946 0.00946 0.00000 150 3S 0.00000 0.05926 -0.05926 -0.05926 0.00000 151 4S 0.00000 -0.22232 0.22232 0.22232 0.00000 152 5S 0.00000 -1.48505 1.48505 1.48505 0.00000 153 6PX 0.00000 0.06196 0.00276 0.00276 -0.04180 154 6PY -0.00293 0.00276 -0.00276 0.06196 -0.03294 155 6PZ 0.00293 0.00276 0.06196 -0.00276 -0.00886 156 7PX 0.00000 0.15912 -0.11231 -0.11231 -0.01928 157 7PY -0.00703 -0.11231 0.11231 0.15912 -0.01519 158 7PZ 0.00703 -0.11231 0.15912 0.11231 -0.00409 159 8PX 0.00000 0.22178 -0.19775 -0.19775 0.02717 160 8PY -0.05832 -0.19775 0.19775 0.22178 0.02141 161 8PZ 0.05832 -0.19775 0.22178 0.19775 0.00576 162 9D 0 0.01896 -0.03647 -0.07295 0.03647 -0.00445 163 9D+1 0.06276 0.04324 -0.04324 -0.02004 0.05237 164 9D-1 0.00000 -0.02004 0.04324 0.04324 0.06646 165 9D+2 0.01095 0.06317 0.00000 0.06317 0.02168 166 9D-2 -0.06276 0.04324 -0.02004 -0.04324 0.01409 167 9 O 1S 0.00000 0.00311 -0.00311 0.00311 0.00000 168 2S 0.00000 0.00946 -0.00946 0.00946 0.00000 169 3S 0.00000 -0.05926 0.05926 -0.05926 0.00000 170 4S 0.00000 0.22232 -0.22232 0.22232 0.00000 171 5S 0.00000 1.48505 -1.48505 1.48505 0.00000 172 6PX 0.00000 0.06196 0.00276 -0.00276 0.04180 173 6PY 0.00293 -0.00276 0.00276 0.06196 -0.03294 174 6PZ 0.00293 0.00276 0.06196 0.00276 0.00886 175 7PX 0.00000 0.15912 -0.11231 0.11231 0.01928 176 7PY 0.00703 0.11231 -0.11231 0.15912 -0.01519 177 7PZ 0.00703 -0.11231 0.15912 -0.11231 0.00409 178 8PX 0.00000 0.22178 -0.19775 0.19775 -0.02717 179 8PY 0.05832 0.19775 -0.19775 0.22178 0.02141 180 8PZ 0.05832 -0.19775 0.22178 -0.19775 -0.00576 181 9D 0 -0.01896 0.03647 0.07295 0.03647 -0.00445 182 9D+1 -0.06276 -0.04324 0.04324 -0.02004 0.05237 183 9D-1 0.00000 -0.02004 0.04324 -0.04324 -0.06646 184 9D+2 -0.01095 -0.06317 0.00000 0.06317 0.02168 185 9D-2 -0.06276 0.04324 -0.02004 0.04324 -0.01409 116 117 118 119 120 (E)--V (T1)--V (T1)--V (T1)--V (T2)--V Eigenvalues -- 1.60596 1.63613 1.63613 1.63613 1.74371 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 -0.05143 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.18931 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.30075 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 1.93073 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.01127 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.18095 22 11D+2 0.00231 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 -0.00367 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -0.18706 27 12D+2 -0.00075 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 -0.02201 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 1.32306 32 13D+2 -0.00452 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00233 35 2S 0.00000 0.00000 0.00000 0.00000 -0.01404 36 3S 0.00000 0.00000 0.00000 0.00000 0.18411 37 4S 0.00000 0.00000 0.00000 0.00000 -0.34210 38 5S 0.00000 0.00000 0.00000 0.00000 -0.02703 39 6PX 0.03668 0.00000 0.15532 -0.15532 -0.02728 40 6PY 0.07719 0.15532 0.00000 0.15532 -0.08212 41 6PZ -0.11387 -0.15532 -0.15532 0.00000 -0.08212 42 7PX -0.05755 0.00000 -0.22110 0.22110 0.60569 43 7PY -0.12112 -0.22110 0.00000 -0.22110 0.66807 44 7PZ 0.17867 0.22110 0.22110 0.00000 0.66807 45 8PX 0.03698 0.00000 0.18036 -0.18036 -0.05401 46 8PY 0.07781 0.18036 0.00000 0.18036 0.14170 47 8PZ -0.11479 -0.18036 -0.18036 0.00000 0.14170 48 9D 0 0.35294 0.24444 0.24444 0.00000 0.18904 49 9D+1 -0.16356 0.22959 0.00000 0.22959 0.06282 50 9D-1 -0.07772 0.00000 0.22959 -0.22959 -0.07307 51 9D+2 0.07249 0.14113 -0.14113 0.28226 -0.32742 52 9D-2 0.24128 -0.22959 -0.22959 0.00000 0.06282 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00233 54 2S 0.00000 0.00000 0.00000 0.00000 0.01404 55 3S 0.00000 0.00000 0.00000 0.00000 -0.18411 56 4S 0.00000 0.00000 0.00000 0.00000 0.34210 57 5S 0.00000 0.00000 0.00000 0.00000 0.02703 58 6PX -0.03668 0.00000 0.15532 0.15532 -0.02728 59 6PY -0.07719 0.15532 0.00000 -0.15532 -0.08212 60 6PZ -0.11387 0.15532 0.15532 0.00000 0.08212 61 7PX 0.05755 0.00000 -0.22110 -0.22110 0.60569 62 7PY 0.12112 -0.22110 0.00000 0.22110 0.66807 63 7PZ 0.17867 -0.22110 -0.22110 0.00000 -0.66807 64 8PX -0.03698 0.00000 0.18036 0.18036 -0.05401 65 8PY -0.07781 0.18036 0.00000 -0.18036 0.14170 66 8PZ -0.11479 0.18036 0.18036 0.00000 -0.14170 67 9D 0 0.35294 -0.24444 -0.24444 0.00000 -0.18904 68 9D+1 0.16356 0.22959 0.00000 -0.22959 0.06282 69 9D-1 0.07772 0.00000 0.22959 0.22959 -0.07307 70 9D+2 0.07249 -0.14113 0.14113 0.28226 0.32742 71 9D-2 0.24128 0.22959 0.22959 0.00000 -0.06282 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00233 73 2S 0.00000 0.00000 0.00000 0.00000 0.01404 74 3S 0.00000 0.00000 0.00000 0.00000 -0.18411 75 4S 0.00000 0.00000 0.00000 0.00000 0.34210 76 5S 0.00000 0.00000 0.00000 0.00000 0.02703 77 6PX -0.03668 0.00000 -0.15532 -0.15532 -0.02728 78 6PY 0.07719 -0.15532 0.00000 -0.15532 0.08212 79 6PZ 0.11387 -0.15532 0.15532 0.00000 -0.08212 80 7PX 0.05755 0.00000 0.22110 0.22110 0.60569 81 7PY -0.12112 0.22110 0.00000 0.22110 -0.66807 82 7PZ -0.17867 0.22110 -0.22110 0.00000 0.66807 83 8PX -0.03698 0.00000 -0.18036 -0.18036 -0.05401 84 8PY 0.07781 -0.18036 0.00000 -0.18036 -0.14170 85 8PZ 0.11479 -0.18036 0.18036 0.00000 0.14170 86 9D 0 0.35294 -0.24444 0.24444 0.00000 -0.18904 87 9D+1 -0.16356 -0.22959 0.00000 -0.22959 -0.06282 88 9D-1 0.07772 0.00000 -0.22959 -0.22959 -0.07307 89 9D+2 0.07249 -0.14113 -0.14113 -0.28226 0.32742 90 9D-2 -0.24128 -0.22959 0.22959 0.00000 0.06282 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00233 92 2S 0.00000 0.00000 0.00000 0.00000 -0.01404 93 3S 0.00000 0.00000 0.00000 0.00000 0.18411 94 4S 0.00000 0.00000 0.00000 0.00000 -0.34210 95 5S 0.00000 0.00000 0.00000 0.00000 -0.02703 96 6PX 0.03668 0.00000 -0.15532 0.15532 -0.02728 97 6PY -0.07719 -0.15532 0.00000 0.15532 0.08212 98 6PZ 0.11387 0.15532 -0.15532 0.00000 0.08212 99 7PX -0.05755 0.00000 0.22110 -0.22110 0.60569 100 7PY 0.12112 0.22110 0.00000 -0.22110 -0.66807 101 7PZ -0.17867 -0.22110 0.22110 0.00000 -0.66807 102 8PX 0.03698 0.00000 -0.18036 0.18036 -0.05401 103 8PY -0.07781 -0.18036 0.00000 0.18036 -0.14170 104 8PZ 0.11479 0.18036 -0.18036 0.00000 -0.14170 105 9D 0 0.35294 0.24444 -0.24444 0.00000 0.18904 106 9D+1 0.16356 -0.22959 0.00000 0.22959 -0.06282 107 9D-1 -0.07772 0.00000 -0.22959 0.22959 -0.07307 108 9D+2 0.07249 0.14113 0.14113 -0.28226 -0.32742 109 9D-2 -0.24128 0.22959 -0.22959 0.00000 -0.06282 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00242 111 2S 0.00000 0.00000 0.00000 0.00000 0.00467 112 3S 0.00000 0.00000 0.00000 0.00000 0.03327 113 4S 0.00000 0.00000 0.00000 0.00000 -0.33777 114 5S 0.00000 0.00000 0.00000 0.00000 -0.45475 115 6PX 0.01390 0.00000 0.08571 -0.08571 0.05376 116 6PY 0.02925 0.08571 0.00000 0.08571 -0.01290 117 6PZ -0.04315 -0.08571 -0.08571 0.00000 -0.01290 118 7PX 0.00641 0.00000 0.05012 -0.05012 0.14069 119 7PY 0.01349 0.05012 0.00000 0.05012 0.11302 120 7PZ -0.01991 -0.05012 -0.05012 0.00000 0.11302 121 8PX -0.00903 0.00000 -0.03393 0.03393 0.15626 122 8PY -0.01901 -0.03393 0.00000 -0.03393 0.04916 123 8PZ 0.02805 0.03393 0.03393 0.00000 0.04916 124 9D 0 0.02168 -0.09243 -0.09243 0.00000 -0.01818 125 9D+1 -0.04651 -0.03711 0.00000 -0.03711 0.03338 126 9D-1 -0.02210 0.00000 -0.03711 0.03711 -0.10658 127 9D+2 0.00445 -0.05336 0.05336 -0.10673 0.03149 128 9D-2 0.06861 0.03711 0.03711 0.00000 0.03338 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00242 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00467 131 3S 0.00000 0.00000 0.00000 0.00000 -0.03327 132 4S 0.00000 0.00000 0.00000 0.00000 0.33777 133 5S 0.00000 0.00000 0.00000 0.00000 0.45475 134 6PX -0.01390 0.00000 -0.08571 -0.08571 0.05376 135 6PY 0.02925 -0.08571 0.00000 -0.08571 0.01290 136 6PZ 0.04315 -0.08571 0.08571 0.00000 -0.01290 137 7PX -0.00641 0.00000 -0.05012 -0.05012 0.14069 138 7PY 0.01349 -0.05012 0.00000 -0.05012 -0.11302 139 7PZ 0.01991 -0.05012 0.05012 0.00000 0.11302 140 8PX 0.00903 0.00000 0.03393 0.03393 0.15626 141 8PY -0.01901 0.03393 0.00000 0.03393 -0.04916 142 8PZ -0.02805 0.03393 -0.03393 0.00000 0.04916 143 9D 0 0.02168 0.09243 -0.09243 0.00000 0.01818 144 9D+1 -0.04651 0.03711 0.00000 0.03711 -0.03338 145 9D-1 0.02210 0.00000 0.03711 0.03711 -0.10658 146 9D+2 0.00445 0.05336 0.05336 0.10673 -0.03149 147 9D-2 -0.06861 0.03711 -0.03711 0.00000 0.03338 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00242 149 2S 0.00000 0.00000 0.00000 0.00000 0.00467 150 3S 0.00000 0.00000 0.00000 0.00000 0.03327 151 4S 0.00000 0.00000 0.00000 0.00000 -0.33777 152 5S 0.00000 0.00000 0.00000 0.00000 -0.45475 153 6PX 0.01390 0.00000 -0.08571 0.08571 0.05376 154 6PY -0.02925 -0.08571 0.00000 0.08571 0.01290 155 6PZ 0.04315 0.08571 -0.08571 0.00000 0.01290 156 7PX 0.00641 0.00000 -0.05012 0.05012 0.14069 157 7PY -0.01349 -0.05012 0.00000 0.05012 -0.11302 158 7PZ 0.01991 0.05012 -0.05012 0.00000 -0.11302 159 8PX -0.00903 0.00000 0.03393 -0.03393 0.15626 160 8PY 0.01901 0.03393 0.00000 -0.03393 -0.04916 161 8PZ -0.02805 -0.03393 0.03393 0.00000 -0.04916 162 9D 0 0.02168 -0.09243 0.09243 0.00000 -0.01818 163 9D+1 0.04651 0.03711 0.00000 -0.03711 -0.03338 164 9D-1 -0.02210 0.00000 0.03711 -0.03711 -0.10658 165 9D+2 0.00445 -0.05336 -0.05336 0.10673 0.03149 166 9D-2 -0.06861 -0.03711 0.03711 0.00000 -0.03338 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00242 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00467 169 3S 0.00000 0.00000 0.00000 0.00000 -0.03327 170 4S 0.00000 0.00000 0.00000 0.00000 0.33777 171 5S 0.00000 0.00000 0.00000 0.00000 0.45475 172 6PX -0.01390 0.00000 0.08571 0.08571 0.05376 173 6PY -0.02925 0.08571 0.00000 -0.08571 -0.01290 174 6PZ -0.04315 0.08571 0.08571 0.00000 0.01290 175 7PX -0.00641 0.00000 0.05012 0.05012 0.14069 176 7PY -0.01349 0.05012 0.00000 -0.05012 0.11302 177 7PZ -0.01991 0.05012 0.05012 0.00000 -0.11302 178 8PX 0.00903 0.00000 -0.03393 -0.03393 0.15626 179 8PY 0.01901 -0.03393 0.00000 0.03393 0.04916 180 8PZ 0.02805 -0.03393 -0.03393 0.00000 -0.04916 181 9D 0 0.02168 0.09243 0.09243 0.00000 0.01818 182 9D+1 0.04651 -0.03711 0.00000 0.03711 0.03338 183 9D-1 0.02210 0.00000 -0.03711 -0.03711 -0.10658 184 9D+2 0.00445 0.05336 -0.05336 -0.10673 -0.03149 185 9D-2 0.06861 -0.03711 -0.03711 0.00000 -0.03338 121 122 123 124 125 (T2)--V (T2)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 1.74371 1.74371 1.92791 1.92791 1.92791 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.07485 0.00000 0.00000 8 7PY -0.05143 0.00000 0.00000 -0.07485 0.00000 9 7PZ 0.00000 -0.05143 0.00000 0.00000 -0.07485 10 8PX 0.00000 0.00000 0.29318 0.00000 0.00000 11 8PY 0.18931 0.00000 0.00000 0.29318 0.00000 12 8PZ 0.00000 0.18931 0.00000 0.00000 0.29318 13 9PX 0.00000 0.00000 -0.59730 0.00000 0.00000 14 9PY -0.30075 0.00000 0.00000 -0.59730 0.00000 15 9PZ 0.00000 -0.30075 0.00000 0.00000 -0.59730 16 10PX 0.00000 0.00000 3.78153 0.00000 0.00000 17 10PY 1.93073 0.00000 0.00000 3.78153 0.00000 18 10PZ 0.00000 1.93073 0.00000 0.00000 3.78153 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 -0.18095 0.00000 0.00000 -0.03451 0.00000 21 11D-1 0.00000 0.00000 -0.03451 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 -0.18095 0.00000 0.00000 -0.03451 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 -0.18706 0.00000 0.00000 -0.12568 0.00000 26 12D-1 0.00000 0.00000 -0.12568 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 -0.18706 0.00000 0.00000 -0.12568 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 1.32306 0.00000 0.00000 1.12894 0.00000 31 13D-1 0.00000 0.00000 1.12894 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 1.32306 0.00000 0.00000 1.12894 34 2 C 1S -0.00233 -0.00233 -0.01837 -0.01837 -0.01837 35 2S -0.01404 -0.01404 -0.06241 -0.06241 -0.06241 36 3S 0.18411 0.18411 0.60231 0.60231 0.60231 37 4S -0.34210 -0.34210 -1.08815 -1.08815 -1.08815 38 5S -0.02703 -0.02703 0.01305 0.01305 0.01305 39 6PX -0.08212 -0.08212 -0.04112 -0.24406 -0.24406 40 6PY -0.02728 -0.08212 -0.24406 -0.04112 -0.24406 41 6PZ -0.08212 -0.02728 -0.24406 -0.24406 -0.04112 42 7PX 0.66807 0.66807 0.58539 1.12303 1.12303 43 7PY 0.60569 0.66807 1.12303 0.58539 1.12303 44 7PZ 0.66807 0.60569 1.12303 1.12303 0.58539 45 8PX 0.14170 0.14170 -0.12103 0.25673 0.25673 46 8PY -0.05401 0.14170 0.25673 -0.12103 0.25673 47 8PZ 0.14170 -0.05401 0.25673 0.25673 -0.12103 48 9D 0 0.18904 -0.37808 -0.11110 -0.11110 0.22220 49 9D+1 -0.07307 0.06282 0.09092 -0.21844 0.09092 50 9D-1 0.06282 0.06282 -0.21844 0.09092 0.09092 51 9D+2 0.32742 0.00000 0.19243 -0.19243 0.00000 52 9D-2 0.06282 -0.07307 0.09092 0.09092 -0.21844 53 3 C 1S 0.00233 -0.00233 0.01837 0.01837 -0.01837 54 2S 0.01404 -0.01404 0.06241 0.06241 -0.06241 55 3S -0.18411 0.18411 -0.60231 -0.60231 0.60231 56 4S 0.34210 -0.34210 1.08815 1.08815 -1.08815 57 5S 0.02703 -0.02703 -0.01305 -0.01305 0.01305 58 6PX -0.08212 0.08212 -0.04112 -0.24406 0.24406 59 6PY -0.02728 0.08212 -0.24406 -0.04112 0.24406 60 6PZ 0.08212 -0.02728 0.24406 0.24406 -0.04112 61 7PX 0.66807 -0.66807 0.58539 1.12303 -1.12303 62 7PY 0.60569 -0.66807 1.12303 0.58539 -1.12303 63 7PZ -0.66807 0.60569 -1.12303 -1.12303 0.58539 64 8PX 0.14170 -0.14170 -0.12103 0.25673 -0.25673 65 8PY -0.05401 -0.14170 0.25673 -0.12103 -0.25673 66 8PZ -0.14170 -0.05401 -0.25673 -0.25673 -0.12103 67 9D 0 -0.18904 -0.37808 0.11110 0.11110 0.22220 68 9D+1 -0.07307 -0.06282 0.09092 -0.21844 -0.09092 69 9D-1 0.06282 -0.06282 -0.21844 0.09092 -0.09092 70 9D+2 -0.32742 0.00000 -0.19243 0.19243 0.00000 71 9D-2 -0.06282 -0.07307 -0.09092 -0.09092 -0.21844 72 4 C 1S -0.00233 0.00233 0.01837 -0.01837 0.01837 73 2S -0.01404 0.01404 0.06241 -0.06241 0.06241 74 3S 0.18411 -0.18411 -0.60231 0.60231 -0.60231 75 4S -0.34210 0.34210 1.08815 -1.08815 1.08815 76 5S -0.02703 0.02703 -0.01305 0.01305 -0.01305 77 6PX 0.08212 -0.08212 -0.04112 0.24406 -0.24406 78 6PY -0.02728 0.08212 0.24406 -0.04112 0.24406 79 6PZ 0.08212 -0.02728 -0.24406 0.24406 -0.04112 80 7PX -0.66807 0.66807 0.58539 -1.12303 1.12303 81 7PY 0.60569 -0.66807 -1.12303 0.58539 -1.12303 82 7PZ -0.66807 0.60569 1.12303 -1.12303 0.58539 83 8PX -0.14170 0.14170 -0.12103 -0.25673 0.25673 84 8PY -0.05401 -0.14170 -0.25673 -0.12103 -0.25673 85 8PZ -0.14170 -0.05401 0.25673 -0.25673 -0.12103 86 9D 0 0.18904 0.37808 0.11110 -0.11110 -0.22220 87 9D+1 -0.07307 -0.06282 -0.09092 -0.21844 -0.09092 88 9D-1 -0.06282 0.06282 -0.21844 -0.09092 0.09092 89 9D+2 0.32742 0.00000 -0.19243 -0.19243 0.00000 90 9D-2 -0.06282 -0.07307 0.09092 -0.09092 -0.21844 91 5 C 1S 0.00233 0.00233 -0.01837 0.01837 0.01837 92 2S 0.01404 0.01404 -0.06241 0.06241 0.06241 93 3S -0.18411 -0.18411 0.60231 -0.60231 -0.60231 94 4S 0.34210 0.34210 -1.08815 1.08815 1.08815 95 5S 0.02703 0.02703 0.01305 -0.01305 -0.01305 96 6PX 0.08212 0.08212 -0.04112 0.24406 0.24406 97 6PY -0.02728 -0.08212 0.24406 -0.04112 -0.24406 98 6PZ -0.08212 -0.02728 0.24406 -0.24406 -0.04112 99 7PX -0.66807 -0.66807 0.58539 -1.12303 -1.12303 100 7PY 0.60569 0.66807 -1.12303 0.58539 1.12303 101 7PZ 0.66807 0.60569 -1.12303 1.12303 0.58539 102 8PX -0.14170 -0.14170 -0.12103 -0.25673 -0.25673 103 8PY -0.05401 0.14170 -0.25673 -0.12103 0.25673 104 8PZ 0.14170 -0.05401 -0.25673 0.25673 -0.12103 105 9D 0 -0.18904 0.37808 -0.11110 0.11110 -0.22220 106 9D+1 -0.07307 0.06282 -0.09092 -0.21844 0.09092 107 9D-1 -0.06282 -0.06282 -0.21844 -0.09092 -0.09092 108 9D+2 -0.32742 0.00000 0.19243 0.19243 0.00000 109 9D-2 0.06282 -0.07307 -0.09092 0.09092 -0.21844 110 6 O 1S 0.00242 0.00242 0.00230 0.00230 0.00230 111 2S 0.00467 0.00467 0.00497 0.00497 0.00497 112 3S 0.03327 0.03327 0.02035 0.02035 0.02035 113 4S -0.33777 -0.33777 -0.34587 -0.34587 -0.34587 114 5S -0.45475 -0.45475 -0.62252 -0.62252 -0.62252 115 6PX -0.01290 -0.01290 -0.06499 0.06357 0.06357 116 6PY 0.05376 -0.01290 0.06357 -0.06499 0.06357 117 6PZ -0.01290 0.05376 0.06357 0.06357 -0.06499 118 7PX 0.11302 0.11302 0.11676 0.10569 0.10569 119 7PY 0.14069 0.11302 0.10569 0.11676 0.10569 120 7PZ 0.11302 0.14069 0.10569 0.10569 0.11676 121 8PX 0.04916 0.04916 0.30743 0.01799 0.01799 122 8PY 0.15626 0.04916 0.01799 0.30743 0.01799 123 8PZ 0.04916 0.15626 0.01799 0.01799 0.30743 124 9D 0 -0.01818 0.03636 0.04465 0.04465 -0.08929 125 9D+1 -0.10658 0.03338 -0.04072 -0.00271 -0.04072 126 9D-1 0.03338 0.03338 -0.00271 -0.04072 -0.04072 127 9D+2 -0.03149 0.00000 -0.07733 0.07733 0.00000 128 9D-2 0.03338 -0.10658 -0.04072 -0.04072 -0.00271 129 7 O 1S 0.00242 -0.00242 -0.00230 0.00230 -0.00230 130 2S 0.00467 -0.00467 -0.00497 0.00497 -0.00497 131 3S 0.03327 -0.03327 -0.02035 0.02035 -0.02035 132 4S -0.33777 0.33777 0.34587 -0.34587 0.34587 133 5S -0.45475 0.45475 0.62252 -0.62252 0.62252 134 6PX 0.01290 -0.01290 -0.06499 -0.06357 0.06357 135 6PY 0.05376 0.01290 -0.06357 -0.06499 -0.06357 136 6PZ 0.01290 0.05376 0.06357 -0.06357 -0.06499 137 7PX -0.11302 0.11302 0.11676 -0.10569 0.10569 138 7PY 0.14069 -0.11302 -0.10569 0.11676 -0.10569 139 7PZ -0.11302 0.14069 0.10569 -0.10569 0.11676 140 8PX -0.04916 0.04916 0.30743 -0.01799 0.01799 141 8PY 0.15626 -0.04916 -0.01799 0.30743 -0.01799 142 8PZ -0.04916 0.15626 0.01799 -0.01799 0.30743 143 9D 0 -0.01818 -0.03636 -0.04465 0.04465 0.08929 144 9D+1 -0.10658 -0.03338 0.04072 -0.00271 0.04072 145 9D-1 -0.03338 0.03338 -0.00271 0.04072 -0.04072 146 9D+2 -0.03149 0.00000 0.07733 0.07733 0.00000 147 9D-2 -0.03338 -0.10658 -0.04072 0.04072 -0.00271 148 8 O 1S -0.00242 -0.00242 0.00230 -0.00230 -0.00230 149 2S -0.00467 -0.00467 0.00497 -0.00497 -0.00497 150 3S -0.03327 -0.03327 0.02035 -0.02035 -0.02035 151 4S 0.33777 0.33777 -0.34587 0.34587 0.34587 152 5S 0.45475 0.45475 -0.62252 0.62252 0.62252 153 6PX 0.01290 0.01290 -0.06499 -0.06357 -0.06357 154 6PY 0.05376 -0.01290 -0.06357 -0.06499 0.06357 155 6PZ -0.01290 0.05376 -0.06357 0.06357 -0.06499 156 7PX -0.11302 -0.11302 0.11676 -0.10569 -0.10569 157 7PY 0.14069 0.11302 -0.10569 0.11676 0.10569 158 7PZ 0.11302 0.14069 -0.10569 0.10569 0.11676 159 8PX -0.04916 -0.04916 0.30743 -0.01799 -0.01799 160 8PY 0.15626 0.04916 -0.01799 0.30743 0.01799 161 8PZ 0.04916 0.15626 -0.01799 0.01799 0.30743 162 9D 0 0.01818 -0.03636 0.04465 -0.04465 0.08929 163 9D+1 -0.10658 0.03338 0.04072 -0.00271 -0.04072 164 9D-1 -0.03338 -0.03338 -0.00271 0.04072 0.04072 165 9D+2 0.03149 0.00000 -0.07733 -0.07733 0.00000 166 9D-2 0.03338 -0.10658 0.04072 -0.04072 -0.00271 167 9 O 1S -0.00242 0.00242 -0.00230 -0.00230 0.00230 168 2S -0.00467 0.00467 -0.00497 -0.00497 0.00497 169 3S -0.03327 0.03327 -0.02035 -0.02035 0.02035 170 4S 0.33777 -0.33777 0.34587 0.34587 -0.34587 171 5S 0.45475 -0.45475 0.62252 0.62252 -0.62252 172 6PX -0.01290 0.01290 -0.06499 0.06357 -0.06357 173 6PY 0.05376 0.01290 0.06357 -0.06499 -0.06357 174 6PZ 0.01290 0.05376 -0.06357 -0.06357 -0.06499 175 7PX 0.11302 -0.11302 0.11676 0.10569 -0.10569 176 7PY 0.14069 -0.11302 0.10569 0.11676 -0.10569 177 7PZ -0.11302 0.14069 -0.10569 -0.10569 0.11676 178 8PX 0.04916 -0.04916 0.30743 0.01799 -0.01799 179 8PY 0.15626 -0.04916 0.01799 0.30743 -0.01799 180 8PZ -0.04916 0.15626 -0.01799 -0.01799 0.30743 181 9D 0 0.01818 0.03636 -0.04465 -0.04465 -0.08929 182 9D+1 -0.10658 -0.03338 -0.04072 -0.00271 0.04072 183 9D-1 0.03338 -0.03338 -0.00271 -0.04072 0.04072 184 9D+2 0.03149 0.00000 0.07733 -0.07733 0.00000 185 9D-2 -0.03338 -0.10658 0.04072 0.04072 -0.00271 126 127 128 129 130 (E)--V (E)--V (A1)--V (T2)--V (T2)--V Eigenvalues -- 1.95993 1.95993 2.03073 2.22957 2.22957 1 1 Ni 1S 0.00000 0.00000 -0.00845 0.00000 0.00000 2 2S 0.00000 0.00000 0.06100 0.00000 0.00000 3 3S 0.00000 0.00000 -0.01453 0.00000 0.00000 4 4S 0.00000 0.00000 -0.69234 0.00000 0.00000 5 5S 0.00000 0.00000 4.56932 0.00000 0.00000 6 6S 0.00000 0.00000 -1.92740 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.18996 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.18996 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.73515 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 -0.73515 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 1.15332 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 1.15332 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 -0.21332 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -0.21332 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 -0.18685 -0.04456 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.02210 21 11D-1 0.00000 0.00000 0.00000 -0.02210 0.00000 22 11D+2 0.04456 -0.18685 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 -0.09645 -0.02300 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.08598 26 12D-1 0.00000 0.00000 0.00000 0.08598 0.00000 27 12D+2 0.02300 -0.09645 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.74661 0.17805 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.08688 31 13D-1 0.00000 0.00000 0.00000 0.08688 0.00000 32 13D+2 -0.17805 0.74661 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 -0.03498 -0.00831 -0.00831 35 2S 0.00000 0.00000 -0.11594 -0.03264 -0.03264 36 3S 0.00000 0.00000 0.92555 -0.01840 -0.01840 37 4S 0.00000 0.00000 -0.83960 1.39974 1.39974 38 5S 0.00000 0.00000 1.20019 0.16967 0.16967 39 6PX -0.06759 0.07144 -0.32982 -0.13205 -0.12210 40 6PY -0.02807 -0.09425 -0.32982 -0.12210 -0.13205 41 6PZ 0.09566 0.02281 -0.32982 -0.12210 -0.12210 42 7PX 0.20985 -0.22181 1.28221 0.95803 0.94696 43 7PY 0.08717 0.29264 1.28221 0.94696 0.95803 44 7PZ -0.29702 -0.07083 1.28221 0.94696 0.94696 45 8PX -0.05084 0.05374 0.15883 -0.07026 -0.08261 46 8PY -0.02112 -0.07090 0.15883 -0.08261 -0.07026 47 8PZ 0.07196 0.01716 0.15883 -0.08261 -0.08261 48 9D 0 0.26407 0.06298 0.00000 -0.00279 -0.00279 49 9D+1 0.07347 0.24667 0.03170 0.32103 0.31620 50 9D-1 0.17689 -0.18697 0.03170 0.31620 0.32103 51 9D+2 -0.06298 0.26407 0.00000 0.00483 -0.00483 52 9D-2 -0.25036 -0.05971 0.03170 0.32103 0.32103 53 3 C 1S 0.00000 0.00000 -0.03498 0.00831 0.00831 54 2S 0.00000 0.00000 -0.11594 0.03264 0.03264 55 3S 0.00000 0.00000 0.92555 0.01840 0.01840 56 4S 0.00000 0.00000 -0.83960 -1.39974 -1.39974 57 5S 0.00000 0.00000 1.20019 -0.16967 -0.16967 58 6PX 0.06759 -0.07144 0.32982 -0.13205 -0.12210 59 6PY 0.02807 0.09425 0.32982 -0.12210 -0.13205 60 6PZ 0.09566 0.02281 -0.32982 0.12210 0.12210 61 7PX -0.20985 0.22181 -1.28221 0.95803 0.94696 62 7PY -0.08717 -0.29264 -1.28221 0.94696 0.95803 63 7PZ -0.29702 -0.07083 1.28221 -0.94696 -0.94696 64 8PX 0.05084 -0.05374 -0.15883 -0.07026 -0.08261 65 8PY 0.02112 0.07090 -0.15883 -0.08261 -0.07026 66 8PZ 0.07196 0.01716 0.15883 0.08261 0.08261 67 9D 0 0.26407 0.06298 0.00000 0.00279 0.00279 68 9D+1 -0.07347 -0.24667 -0.03170 0.32103 0.31620 69 9D-1 -0.17689 0.18697 -0.03170 0.31620 0.32103 70 9D+2 -0.06298 0.26407 0.00000 -0.00483 0.00483 71 9D-2 -0.25036 -0.05971 0.03170 -0.32103 -0.32103 72 4 C 1S 0.00000 0.00000 -0.03498 0.00831 -0.00831 73 2S 0.00000 0.00000 -0.11594 0.03264 -0.03264 74 3S 0.00000 0.00000 0.92555 0.01840 -0.01840 75 4S 0.00000 0.00000 -0.83960 -1.39974 1.39974 76 5S 0.00000 0.00000 1.20019 -0.16967 0.16967 77 6PX 0.06759 -0.07144 0.32982 -0.13205 0.12210 78 6PY -0.02807 -0.09425 -0.32982 0.12210 -0.13205 79 6PZ -0.09566 -0.02281 0.32982 -0.12210 0.12210 80 7PX -0.20985 0.22181 -1.28221 0.95803 -0.94696 81 7PY 0.08717 0.29264 1.28221 -0.94696 0.95803 82 7PZ 0.29702 0.07083 -1.28221 0.94696 -0.94696 83 8PX 0.05084 -0.05374 -0.15883 -0.07026 0.08261 84 8PY -0.02112 -0.07090 0.15883 0.08261 -0.07026 85 8PZ -0.07196 -0.01716 -0.15883 -0.08261 0.08261 86 9D 0 0.26407 0.06298 0.00000 0.00279 -0.00279 87 9D+1 0.07347 0.24667 0.03170 -0.32103 0.31620 88 9D-1 -0.17689 0.18697 -0.03170 0.31620 -0.32103 89 9D+2 -0.06298 0.26407 0.00000 -0.00483 -0.00483 90 9D-2 0.25036 0.05971 -0.03170 0.32103 -0.32103 91 5 C 1S 0.00000 0.00000 -0.03498 -0.00831 0.00831 92 2S 0.00000 0.00000 -0.11594 -0.03264 0.03264 93 3S 0.00000 0.00000 0.92555 -0.01840 0.01840 94 4S 0.00000 0.00000 -0.83960 1.39974 -1.39974 95 5S 0.00000 0.00000 1.20019 0.16967 -0.16967 96 6PX -0.06759 0.07144 -0.32982 -0.13205 0.12210 97 6PY 0.02807 0.09425 0.32982 0.12210 -0.13205 98 6PZ -0.09566 -0.02281 0.32982 0.12210 -0.12210 99 7PX 0.20985 -0.22181 1.28221 0.95803 -0.94696 100 7PY -0.08717 -0.29264 -1.28221 -0.94696 0.95803 101 7PZ 0.29702 0.07083 -1.28221 -0.94696 0.94696 102 8PX -0.05084 0.05374 0.15883 -0.07026 0.08261 103 8PY 0.02112 0.07090 -0.15883 0.08261 -0.07026 104 8PZ -0.07196 -0.01716 -0.15883 0.08261 -0.08261 105 9D 0 0.26407 0.06298 0.00000 -0.00279 0.00279 106 9D+1 -0.07347 -0.24667 -0.03170 -0.32103 0.31620 107 9D-1 0.17689 -0.18697 0.03170 0.31620 -0.32103 108 9D+2 -0.06298 0.26407 0.00000 0.00483 0.00483 109 9D-2 0.25036 0.05971 -0.03170 -0.32103 0.32103 110 6 O 1S 0.00000 0.00000 -0.00163 0.00508 0.00508 111 2S 0.00000 0.00000 -0.00624 0.00969 0.00969 112 3S 0.00000 0.00000 0.08468 0.15716 0.15716 113 4S 0.00000 0.00000 -0.43643 -1.04613 -1.04613 114 5S 0.00000 0.00000 -1.52979 -0.91923 -0.91923 115 6PX 0.04628 -0.04891 0.05206 -0.02207 -0.02059 116 6PY 0.01922 0.06453 0.05206 -0.02059 -0.02207 117 6PZ -0.06550 -0.01562 0.05206 -0.02059 -0.02059 118 7PX 0.00830 -0.00877 0.15108 0.47553 0.47495 119 7PY 0.00345 0.01157 0.15108 0.47495 0.47553 120 7PZ -0.01175 -0.00280 0.15108 0.47495 0.47495 121 8PX -0.02274 0.02403 0.30819 0.19689 0.21168 122 8PY -0.00944 -0.03171 0.30819 0.21168 0.19689 123 8PZ 0.03218 0.00767 0.30819 0.21168 0.21168 124 9D 0 -0.15829 -0.03775 0.00000 0.00767 0.00767 125 9D+1 -0.01684 -0.05655 -0.05851 -0.01071 0.00658 126 9D-1 -0.04055 0.04286 -0.05851 0.00658 -0.01071 127 9D+2 0.03775 -0.15829 0.00000 -0.01328 0.01328 128 9D-2 0.05740 0.01369 -0.05851 -0.01071 -0.01071 129 7 O 1S 0.00000 0.00000 -0.00163 -0.00508 0.00508 130 2S 0.00000 0.00000 -0.00624 -0.00969 0.00969 131 3S 0.00000 0.00000 0.08468 -0.15716 0.15716 132 4S 0.00000 0.00000 -0.43643 1.04613 -1.04613 133 5S 0.00000 0.00000 -1.52979 0.91923 -0.91923 134 6PX -0.04628 0.04891 -0.05206 -0.02207 0.02059 135 6PY 0.01922 0.06453 0.05206 0.02059 -0.02207 136 6PZ 0.06550 0.01562 -0.05206 -0.02059 0.02059 137 7PX -0.00830 0.00877 -0.15108 0.47553 -0.47495 138 7PY 0.00345 0.01157 0.15108 -0.47495 0.47553 139 7PZ 0.01175 0.00280 -0.15108 0.47495 -0.47495 140 8PX 0.02274 -0.02403 -0.30819 0.19689 -0.21168 141 8PY -0.00944 -0.03171 0.30819 -0.21168 0.19689 142 8PZ -0.03218 -0.00767 -0.30819 0.21168 -0.21168 143 9D 0 -0.15829 -0.03775 0.00000 -0.00767 0.00767 144 9D+1 -0.01684 -0.05655 -0.05851 0.01071 0.00658 145 9D-1 0.04055 -0.04286 0.05851 0.00658 0.01071 146 9D+2 0.03775 -0.15829 0.00000 0.01328 0.01328 147 9D-2 -0.05740 -0.01369 0.05851 -0.01071 0.01071 148 8 O 1S 0.00000 0.00000 -0.00163 0.00508 -0.00508 149 2S 0.00000 0.00000 -0.00624 0.00969 -0.00969 150 3S 0.00000 0.00000 0.08468 0.15716 -0.15716 151 4S 0.00000 0.00000 -0.43643 -1.04613 1.04613 152 5S 0.00000 0.00000 -1.52979 -0.91923 0.91923 153 6PX 0.04628 -0.04891 0.05206 -0.02207 0.02059 154 6PY -0.01922 -0.06453 -0.05206 0.02059 -0.02207 155 6PZ 0.06550 0.01562 -0.05206 0.02059 -0.02059 156 7PX 0.00830 -0.00877 0.15108 0.47553 -0.47495 157 7PY -0.00345 -0.01157 -0.15108 -0.47495 0.47553 158 7PZ 0.01175 0.00280 -0.15108 -0.47495 0.47495 159 8PX -0.02274 0.02403 0.30819 0.19689 -0.21168 160 8PY 0.00944 0.03171 -0.30819 -0.21168 0.19689 161 8PZ -0.03218 -0.00767 -0.30819 -0.21168 0.21168 162 9D 0 -0.15829 -0.03775 0.00000 0.00767 -0.00767 163 9D+1 0.01684 0.05655 0.05851 0.01071 0.00658 164 9D-1 -0.04055 0.04286 -0.05851 0.00658 0.01071 165 9D+2 0.03775 -0.15829 0.00000 -0.01328 -0.01328 166 9D-2 -0.05740 -0.01369 0.05851 0.01071 -0.01071 167 9 O 1S 0.00000 0.00000 -0.00163 -0.00508 -0.00508 168 2S 0.00000 0.00000 -0.00624 -0.00969 -0.00969 169 3S 0.00000 0.00000 0.08468 -0.15716 -0.15716 170 4S 0.00000 0.00000 -0.43643 1.04613 1.04613 171 5S 0.00000 0.00000 -1.52979 0.91923 0.91923 172 6PX -0.04628 0.04891 -0.05206 -0.02207 -0.02059 173 6PY -0.01922 -0.06453 -0.05206 -0.02059 -0.02207 174 6PZ -0.06550 -0.01562 0.05206 0.02059 0.02059 175 7PX -0.00830 0.00877 -0.15108 0.47553 0.47495 176 7PY -0.00345 -0.01157 -0.15108 0.47495 0.47553 177 7PZ -0.01175 -0.00280 0.15108 -0.47495 -0.47495 178 8PX 0.02274 -0.02403 -0.30819 0.19689 0.21168 179 8PY 0.00944 0.03171 -0.30819 0.21168 0.19689 180 8PZ 0.03218 0.00767 0.30819 -0.21168 -0.21168 181 9D 0 -0.15829 -0.03775 0.00000 -0.00767 -0.00767 182 9D+1 0.01684 0.05655 0.05851 -0.01071 0.00658 183 9D-1 0.04055 -0.04286 0.05851 0.00658 -0.01071 184 9D+2 0.03775 -0.15829 0.00000 0.01328 -0.01328 185 9D-2 0.05740 0.01369 -0.05851 0.01071 0.01071 131 132 133 134 135 (T2)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 2.22957 2.31534 2.47645 2.47645 2.47645 1 1 Ni 1S 0.00000 -0.02347 0.00000 0.00000 0.00000 2 2S 0.00000 -0.01302 0.00000 0.00000 0.00000 3 3S 0.00000 -0.34007 0.00000 0.00000 0.00000 4 4S 0.00000 0.34401 0.00000 0.00000 0.00000 5 5S 0.00000 1.34524 0.00000 0.00000 0.00000 6 6S 0.00000 0.48943 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.18818 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.18818 0.00000 9 7PZ 0.18996 0.00000 0.00000 0.00000 -0.18818 10 8PX 0.00000 0.00000 0.72076 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.72076 0.00000 12 8PZ -0.73515 0.00000 0.00000 0.00000 0.72076 13 9PX 0.00000 0.00000 -1.05247 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 -1.05247 0.00000 15 9PZ 1.15332 0.00000 0.00000 0.00000 -1.05247 16 10PX 0.00000 0.00000 1.65134 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 1.65134 0.00000 18 10PZ -0.21332 0.00000 0.00000 0.00000 1.65134 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 -0.08966 0.00000 21 11D-1 0.00000 0.00000 -0.08966 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 -0.02210 0.00000 0.00000 0.00000 -0.08966 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.08285 0.00000 26 12D-1 0.00000 0.00000 0.08285 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.08598 0.00000 0.00000 0.00000 0.08285 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.01610 0.00000 31 13D-1 0.00000 0.00000 0.01610 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.08688 0.00000 0.00000 0.00000 0.01610 34 2 C 1S -0.00831 0.00121 0.00979 0.00979 0.00979 35 2S -0.03264 -0.00596 0.02433 0.02433 0.02433 36 3S -0.01840 -0.20533 -0.26400 -0.26400 -0.26400 37 4S 1.39974 1.58561 0.87320 0.87320 0.87320 38 5S 0.16967 -0.52196 -1.17885 -1.17885 -1.17885 39 6PX -0.12210 -0.04558 0.06222 0.05931 0.05931 40 6PY -0.12210 -0.04558 0.05931 0.06222 0.05931 41 6PZ -0.13205 -0.04558 0.05931 0.05931 0.06222 42 7PX 0.94696 0.86595 0.12657 0.21232 0.21232 43 7PY 0.94696 0.86595 0.21232 0.12657 0.21232 44 7PZ 0.95803 0.86595 0.21232 0.21232 0.12657 45 8PX -0.08261 0.07611 0.57786 0.49637 0.49637 46 8PY -0.08261 0.07611 0.49637 0.57786 0.49637 47 8PZ -0.07026 0.07611 0.49637 0.49637 0.57786 48 9D 0 0.00558 0.00000 -0.02139 -0.02139 0.04277 49 9D+1 0.32103 0.37455 0.15183 0.16863 0.15183 50 9D-1 0.32103 0.37455 0.16863 0.15183 0.15183 51 9D+2 0.00000 0.00000 0.03704 -0.03704 0.00000 52 9D-2 0.31620 0.37455 0.15183 0.15183 0.16863 53 3 C 1S -0.00831 0.00121 -0.00979 -0.00979 0.00979 54 2S -0.03264 -0.00596 -0.02433 -0.02433 0.02433 55 3S -0.01840 -0.20533 0.26400 0.26400 -0.26400 56 4S 1.39974 1.58561 -0.87320 -0.87320 0.87320 57 5S 0.16967 -0.52196 1.17885 1.17885 -1.17885 58 6PX 0.12210 0.04558 0.06222 0.05931 -0.05931 59 6PY 0.12210 0.04558 0.05931 0.06222 -0.05931 60 6PZ -0.13205 -0.04558 -0.05931 -0.05931 0.06222 61 7PX -0.94696 -0.86595 0.12657 0.21232 -0.21232 62 7PY -0.94696 -0.86595 0.21232 0.12657 -0.21232 63 7PZ 0.95803 0.86595 -0.21232 -0.21232 0.12657 64 8PX 0.08261 -0.07611 0.57786 0.49637 -0.49637 65 8PY 0.08261 -0.07611 0.49637 0.57786 -0.49637 66 8PZ -0.07026 0.07611 -0.49637 -0.49637 0.57786 67 9D 0 0.00558 0.00000 0.02139 0.02139 0.04277 68 9D+1 -0.32103 -0.37455 0.15183 0.16863 -0.15183 69 9D-1 -0.32103 -0.37455 0.16863 0.15183 -0.15183 70 9D+2 0.00000 0.00000 -0.03704 0.03704 0.00000 71 9D-2 0.31620 0.37455 -0.15183 -0.15183 0.16863 72 4 C 1S 0.00831 0.00121 -0.00979 0.00979 -0.00979 73 2S 0.03264 -0.00596 -0.02433 0.02433 -0.02433 74 3S 0.01840 -0.20533 0.26400 -0.26400 0.26400 75 4S -1.39974 1.58561 -0.87320 0.87320 -0.87320 76 5S -0.16967 -0.52196 1.17885 -1.17885 1.17885 77 6PX -0.12210 0.04558 0.06222 -0.05931 0.05931 78 6PY 0.12210 -0.04558 -0.05931 0.06222 -0.05931 79 6PZ -0.13205 0.04558 0.05931 -0.05931 0.06222 80 7PX 0.94696 -0.86595 0.12657 -0.21232 0.21232 81 7PY -0.94696 0.86595 -0.21232 0.12657 -0.21232 82 7PZ 0.95803 -0.86595 0.21232 -0.21232 0.12657 83 8PX -0.08261 -0.07611 0.57786 -0.49637 0.49637 84 8PY 0.08261 0.07611 -0.49637 0.57786 -0.49637 85 8PZ -0.07026 -0.07611 0.49637 -0.49637 0.57786 86 9D 0 -0.00558 0.00000 0.02139 -0.02139 -0.04277 87 9D+1 -0.32103 0.37455 -0.15183 0.16863 -0.15183 88 9D-1 0.32103 -0.37455 0.16863 -0.15183 0.15183 89 9D+2 0.00000 0.00000 -0.03704 -0.03704 0.00000 90 9D-2 0.31620 -0.37455 0.15183 -0.15183 0.16863 91 5 C 1S 0.00831 0.00121 0.00979 -0.00979 -0.00979 92 2S 0.03264 -0.00596 0.02433 -0.02433 -0.02433 93 3S 0.01840 -0.20533 -0.26400 0.26400 0.26400 94 4S -1.39974 1.58561 0.87320 -0.87320 -0.87320 95 5S -0.16967 -0.52196 -1.17885 1.17885 1.17885 96 6PX 0.12210 -0.04558 0.06222 -0.05931 -0.05931 97 6PY -0.12210 0.04558 -0.05931 0.06222 0.05931 98 6PZ -0.13205 0.04558 -0.05931 0.05931 0.06222 99 7PX -0.94696 0.86595 0.12657 -0.21232 -0.21232 100 7PY 0.94696 -0.86595 -0.21232 0.12657 0.21232 101 7PZ 0.95803 -0.86595 -0.21232 0.21232 0.12657 102 8PX 0.08261 0.07611 0.57786 -0.49637 -0.49637 103 8PY -0.08261 -0.07611 -0.49637 0.57786 0.49637 104 8PZ -0.07026 -0.07611 -0.49637 0.49637 0.57786 105 9D 0 -0.00558 0.00000 -0.02139 0.02139 -0.04277 106 9D+1 0.32103 -0.37455 -0.15183 0.16863 0.15183 107 9D-1 -0.32103 0.37455 0.16863 -0.15183 -0.15183 108 9D+2 0.00000 0.00000 0.03704 0.03704 0.00000 109 9D-2 0.31620 -0.37455 -0.15183 0.15183 0.16863 110 6 O 1S 0.00508 0.00563 -0.00401 -0.00401 -0.00401 111 2S 0.00969 0.00887 -0.01917 -0.01917 -0.01917 112 3S 0.15716 0.21037 0.24610 0.24610 0.24610 113 4S -1.04613 -1.26213 -0.73223 -0.73223 -0.73223 114 5S -0.91923 -0.62755 -0.13743 -0.13743 -0.13743 115 6PX -0.02059 -0.10648 -0.22379 -0.15205 -0.15205 116 6PY -0.02059 -0.10648 -0.15205 -0.22379 -0.15205 117 6PZ -0.02207 -0.10648 -0.15205 -0.15205 -0.22379 118 7PX 0.47495 0.64423 0.52974 0.43317 0.43317 119 7PY 0.47495 0.64423 0.43317 0.52974 0.43317 120 7PZ 0.47553 0.64423 0.43317 0.43317 0.52974 121 8PX 0.21168 0.03885 -0.26652 -0.21900 -0.21900 122 8PY 0.21168 0.03885 -0.21900 -0.26652 -0.21900 123 8PZ 0.19689 0.03885 -0.21900 -0.21900 -0.26652 124 9D 0 -0.01534 0.00000 -0.03163 -0.03163 0.06325 125 9D+1 -0.01071 0.04415 0.06801 0.14689 0.06801 126 9D-1 -0.01071 0.04415 0.14689 0.06801 0.06801 127 9D+2 0.00000 0.00000 0.05478 -0.05478 0.00000 128 9D-2 0.00658 0.04415 0.06801 0.06801 0.14689 129 7 O 1S -0.00508 0.00563 0.00401 -0.00401 0.00401 130 2S -0.00969 0.00887 0.01917 -0.01917 0.01917 131 3S -0.15716 0.21037 -0.24610 0.24610 -0.24610 132 4S 1.04613 -1.26213 0.73223 -0.73223 0.73223 133 5S 0.91923 -0.62755 0.13743 -0.13743 0.13743 134 6PX -0.02059 0.10648 -0.22379 0.15205 -0.15205 135 6PY 0.02059 -0.10648 0.15205 -0.22379 0.15205 136 6PZ -0.02207 0.10648 -0.15205 0.15205 -0.22379 137 7PX 0.47495 -0.64423 0.52974 -0.43317 0.43317 138 7PY -0.47495 0.64423 -0.43317 0.52974 -0.43317 139 7PZ 0.47553 -0.64423 0.43317 -0.43317 0.52974 140 8PX 0.21168 -0.03885 -0.26652 0.21900 -0.21900 141 8PY -0.21168 0.03885 0.21900 -0.26652 0.21900 142 8PZ 0.19689 -0.03885 -0.21900 0.21900 -0.26652 143 9D 0 0.01534 0.00000 0.03163 -0.03163 -0.06325 144 9D+1 0.01071 0.04415 -0.06801 0.14689 -0.06801 145 9D-1 -0.01071 -0.04415 0.14689 -0.06801 0.06801 146 9D+2 0.00000 0.00000 -0.05478 -0.05478 0.00000 147 9D-2 0.00658 -0.04415 0.06801 -0.06801 0.14689 148 8 O 1S -0.00508 0.00563 -0.00401 0.00401 0.00401 149 2S -0.00969 0.00887 -0.01917 0.01917 0.01917 150 3S -0.15716 0.21037 0.24610 -0.24610 -0.24610 151 4S 1.04613 -1.26213 -0.73223 0.73223 0.73223 152 5S 0.91923 -0.62755 -0.13743 0.13743 0.13743 153 6PX 0.02059 -0.10648 -0.22379 0.15205 0.15205 154 6PY -0.02059 0.10648 0.15205 -0.22379 -0.15205 155 6PZ -0.02207 0.10648 0.15205 -0.15205 -0.22379 156 7PX -0.47495 0.64423 0.52974 -0.43317 -0.43317 157 7PY 0.47495 -0.64423 -0.43317 0.52974 0.43317 158 7PZ 0.47553 -0.64423 -0.43317 0.43317 0.52974 159 8PX -0.21168 0.03885 -0.26652 0.21900 0.21900 160 8PY 0.21168 -0.03885 0.21900 -0.26652 -0.21900 161 8PZ 0.19689 -0.03885 0.21900 -0.21900 -0.26652 162 9D 0 0.01534 0.00000 -0.03163 0.03163 -0.06325 163 9D+1 -0.01071 -0.04415 -0.06801 0.14689 0.06801 164 9D-1 0.01071 0.04415 0.14689 -0.06801 -0.06801 165 9D+2 0.00000 0.00000 0.05478 0.05478 0.00000 166 9D-2 0.00658 -0.04415 -0.06801 0.06801 0.14689 167 9 O 1S 0.00508 0.00563 0.00401 0.00401 -0.00401 168 2S 0.00969 0.00887 0.01917 0.01917 -0.01917 169 3S 0.15716 0.21037 -0.24610 -0.24610 0.24610 170 4S -1.04613 -1.26213 0.73223 0.73223 -0.73223 171 5S -0.91923 -0.62755 0.13743 0.13743 -0.13743 172 6PX 0.02059 0.10648 -0.22379 -0.15205 0.15205 173 6PY 0.02059 0.10648 -0.15205 -0.22379 0.15205 174 6PZ -0.02207 -0.10648 0.15205 0.15205 -0.22379 175 7PX -0.47495 -0.64423 0.52974 0.43317 -0.43317 176 7PY -0.47495 -0.64423 0.43317 0.52974 -0.43317 177 7PZ 0.47553 0.64423 -0.43317 -0.43317 0.52974 178 8PX -0.21168 -0.03885 -0.26652 -0.21900 0.21900 179 8PY -0.21168 -0.03885 -0.21900 -0.26652 0.21900 180 8PZ 0.19689 0.03885 0.21900 0.21900 -0.26652 181 9D 0 -0.01534 0.00000 0.03163 0.03163 0.06325 182 9D+1 0.01071 -0.04415 0.06801 0.14689 -0.06801 183 9D-1 0.01071 -0.04415 0.14689 0.06801 -0.06801 184 9D+2 0.00000 0.00000 -0.05478 0.05478 0.00000 185 9D-2 0.00658 0.04415 -0.06801 -0.06801 0.14689 136 137 138 139 140 (T2)--V (T2)--V (T2)--V (E)--V (E)--V Eigenvalues -- 2.56980 2.56980 2.56980 2.57007 2.57007 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.03395 0.00000 0.00000 8 7PY 0.00000 -0.03395 0.00000 0.00000 0.00000 9 7PZ -0.03395 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.13284 0.00000 0.00000 11 8PY 0.00000 0.13284 0.00000 0.00000 0.00000 12 8PZ 0.13284 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 -0.22500 0.00000 0.00000 14 9PY 0.00000 -0.22500 0.00000 0.00000 0.00000 15 9PZ -0.22500 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.67504 0.00000 0.00000 17 10PY 0.00000 0.67504 0.00000 0.00000 0.00000 18 10PZ 0.67504 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 -0.00407 -0.00509 20 11D+1 0.00000 -0.00108 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 -0.00108 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00509 -0.00407 23 11D-2 -0.00108 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00123 0.00154 25 12D+1 0.00000 -0.00603 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 -0.00603 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 -0.00154 0.00123 28 12D-2 -0.00603 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.01420 0.01774 30 13D+1 0.00000 0.08421 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.08421 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 -0.01774 0.01420 33 13D-2 0.08421 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00117 -0.00117 -0.00117 0.00000 0.00000 35 2S -0.00416 -0.00416 -0.00416 0.00000 0.00000 36 3S 0.06171 0.06171 0.06171 0.00000 0.00000 37 4S -0.16974 -0.16974 -0.16974 0.00000 0.00000 38 5S 0.06071 0.06071 0.06071 0.00000 0.00000 39 6PX -0.01198 -0.01198 -0.00387 0.02224 -0.00339 40 6PY -0.01198 -0.00387 -0.01198 -0.00818 0.02096 41 6PZ -0.00387 -0.01198 -0.01198 -0.01406 -0.01757 42 7PX 0.10276 0.10276 0.11887 -0.08539 0.01302 43 7PY 0.10276 0.11887 0.10276 0.03142 -0.08046 44 7PZ 0.11887 0.10276 0.10276 0.05397 0.06744 45 8PX 0.12777 0.12777 -0.20189 0.17770 -0.02710 46 8PY 0.12777 -0.20189 0.12777 -0.06538 0.16744 47 8PZ -0.20189 0.12777 0.12777 -0.11232 -0.14034 48 9D 0 0.04636 -0.02318 -0.02318 -0.00145 -0.00181 49 9D+1 0.01647 0.00370 0.01647 -0.00634 0.01623 50 9D-1 0.01647 0.01647 0.00370 0.01723 -0.00263 51 9D+2 0.00000 -0.04015 0.04015 0.00181 -0.00145 52 9D-2 0.00370 0.01647 0.01647 -0.01089 -0.01361 53 3 C 1S -0.00117 0.00117 0.00117 0.00000 0.00000 54 2S -0.00416 0.00416 0.00416 0.00000 0.00000 55 3S 0.06171 -0.06171 -0.06171 0.00000 0.00000 56 4S -0.16974 0.16974 0.16974 0.00000 0.00000 57 5S 0.06071 -0.06071 -0.06071 0.00000 0.00000 58 6PX 0.01198 -0.01198 -0.00387 -0.02224 0.00339 59 6PY 0.01198 -0.00387 -0.01198 0.00818 -0.02096 60 6PZ -0.00387 0.01198 0.01198 -0.01406 -0.01757 61 7PX -0.10276 0.10276 0.11887 0.08539 -0.01302 62 7PY -0.10276 0.11887 0.10276 -0.03142 0.08046 63 7PZ 0.11887 -0.10276 -0.10276 0.05397 0.06744 64 8PX -0.12777 0.12777 -0.20189 -0.17770 0.02710 65 8PY -0.12777 -0.20189 0.12777 0.06538 -0.16744 66 8PZ -0.20189 -0.12777 -0.12777 -0.11232 -0.14034 67 9D 0 0.04636 0.02318 0.02318 -0.00145 -0.00181 68 9D+1 -0.01647 0.00370 0.01647 0.00634 -0.01623 69 9D-1 -0.01647 0.01647 0.00370 -0.01723 0.00263 70 9D+2 0.00000 0.04015 -0.04015 0.00181 -0.00145 71 9D-2 0.00370 -0.01647 -0.01647 -0.01089 -0.01361 72 4 C 1S 0.00117 -0.00117 0.00117 0.00000 0.00000 73 2S 0.00416 -0.00416 0.00416 0.00000 0.00000 74 3S -0.06171 0.06171 -0.06171 0.00000 0.00000 75 4S 0.16974 -0.16974 0.16974 0.00000 0.00000 76 5S -0.06071 0.06071 -0.06071 0.00000 0.00000 77 6PX -0.01198 0.01198 -0.00387 -0.02224 0.00339 78 6PY 0.01198 -0.00387 0.01198 -0.00818 0.02096 79 6PZ -0.00387 0.01198 -0.01198 0.01406 0.01757 80 7PX 0.10276 -0.10276 0.11887 0.08539 -0.01302 81 7PY -0.10276 0.11887 -0.10276 0.03142 -0.08046 82 7PZ 0.11887 -0.10276 0.10276 -0.05397 -0.06744 83 8PX 0.12777 -0.12777 -0.20189 -0.17770 0.02710 84 8PY -0.12777 -0.20189 -0.12777 -0.06538 0.16744 85 8PZ -0.20189 -0.12777 0.12777 0.11232 0.14034 86 9D 0 -0.04636 -0.02318 0.02318 -0.00145 -0.00181 87 9D+1 -0.01647 0.00370 -0.01647 -0.00634 0.01623 88 9D-1 0.01647 -0.01647 0.00370 -0.01723 0.00263 89 9D+2 0.00000 -0.04015 -0.04015 0.00181 -0.00145 90 9D-2 0.00370 -0.01647 0.01647 0.01089 0.01361 91 5 C 1S 0.00117 0.00117 -0.00117 0.00000 0.00000 92 2S 0.00416 0.00416 -0.00416 0.00000 0.00000 93 3S -0.06171 -0.06171 0.06171 0.00000 0.00000 94 4S 0.16974 0.16974 -0.16974 0.00000 0.00000 95 5S -0.06071 -0.06071 0.06071 0.00000 0.00000 96 6PX 0.01198 0.01198 -0.00387 0.02224 -0.00339 97 6PY -0.01198 -0.00387 0.01198 0.00818 -0.02096 98 6PZ -0.00387 -0.01198 0.01198 0.01406 0.01757 99 7PX -0.10276 -0.10276 0.11887 -0.08539 0.01302 100 7PY 0.10276 0.11887 -0.10276 -0.03142 0.08046 101 7PZ 0.11887 0.10276 -0.10276 -0.05397 -0.06744 102 8PX -0.12777 -0.12777 -0.20189 0.17770 -0.02710 103 8PY 0.12777 -0.20189 -0.12777 0.06538 -0.16744 104 8PZ -0.20189 0.12777 -0.12777 0.11232 0.14034 105 9D 0 -0.04636 0.02318 -0.02318 -0.00145 -0.00181 106 9D+1 0.01647 0.00370 -0.01647 0.00634 -0.01623 107 9D-1 -0.01647 -0.01647 0.00370 0.01723 -0.00263 108 9D+2 0.00000 0.04015 0.04015 0.00181 -0.00145 109 9D-2 0.00370 0.01647 -0.01647 0.01089 0.01361 110 6 O 1S -0.00160 -0.00160 -0.00160 0.00000 0.00000 111 2S -0.00613 -0.00613 -0.00613 0.00000 0.00000 112 3S 0.05414 0.05414 0.05414 0.00000 0.00000 113 4S -0.13030 -0.13030 -0.13030 0.00000 0.00000 114 5S -0.04184 -0.04184 -0.04184 0.00000 0.00000 115 6PX -0.24731 -0.24731 0.42758 -0.44486 0.06784 116 6PY -0.24731 0.42758 -0.24731 0.16368 -0.41918 117 6PZ 0.42758 -0.24731 -0.24731 0.28118 0.35134 118 7PX 0.40022 0.40022 -0.61390 0.66233 -0.10100 119 7PY 0.40022 -0.61390 0.40022 -0.24369 0.62409 120 7PZ -0.61390 0.40022 0.40022 -0.41863 -0.52309 121 8PX -0.24277 -0.24277 0.42762 -0.40512 0.06178 122 8PY -0.24277 0.42762 -0.24277 0.14906 -0.38174 123 8PZ 0.42762 -0.24277 -0.24277 0.25606 0.31996 124 9D 0 -0.18513 0.09257 0.09257 -0.02483 -0.03102 125 9D+1 0.01267 0.01839 0.01267 0.05825 -0.14917 126 9D-1 0.01267 0.01267 0.01839 -0.15831 0.02414 127 9D+2 0.00000 0.16033 -0.16033 0.03102 -0.02483 128 9D-2 0.01839 0.01267 0.01267 0.10006 0.12503 129 7 O 1S 0.00160 -0.00160 0.00160 0.00000 0.00000 130 2S 0.00613 -0.00613 0.00613 0.00000 0.00000 131 3S -0.05414 0.05414 -0.05414 0.00000 0.00000 132 4S 0.13030 -0.13030 0.13030 0.00000 0.00000 133 5S 0.04184 -0.04184 0.04184 0.00000 0.00000 134 6PX -0.24731 0.24731 0.42758 0.44486 -0.06784 135 6PY 0.24731 0.42758 0.24731 0.16368 -0.41918 136 6PZ 0.42758 0.24731 -0.24731 -0.28118 -0.35134 137 7PX 0.40022 -0.40022 -0.61390 -0.66233 0.10100 138 7PY -0.40022 -0.61390 -0.40022 -0.24369 0.62409 139 7PZ -0.61390 -0.40022 0.40022 0.41863 0.52309 140 8PX -0.24277 0.24277 0.42762 0.40512 -0.06178 141 8PY 0.24277 0.42762 0.24277 0.14906 -0.38174 142 8PZ 0.42762 0.24277 -0.24277 -0.25606 -0.31996 143 9D 0 0.18513 0.09257 -0.09257 -0.02483 -0.03102 144 9D+1 -0.01267 0.01839 -0.01267 0.05825 -0.14917 145 9D-1 0.01267 -0.01267 0.01839 0.15831 -0.02414 146 9D+2 0.00000 0.16033 0.16033 0.03102 -0.02483 147 9D-2 0.01839 -0.01267 0.01267 -0.10006 -0.12503 148 8 O 1S 0.00160 0.00160 -0.00160 0.00000 0.00000 149 2S 0.00613 0.00613 -0.00613 0.00000 0.00000 150 3S -0.05414 -0.05414 0.05414 0.00000 0.00000 151 4S 0.13030 0.13030 -0.13030 0.00000 0.00000 152 5S 0.04184 0.04184 -0.04184 0.00000 0.00000 153 6PX 0.24731 0.24731 0.42758 -0.44486 0.06784 154 6PY -0.24731 0.42758 0.24731 -0.16368 0.41918 155 6PZ 0.42758 -0.24731 0.24731 -0.28118 -0.35134 156 7PX -0.40022 -0.40022 -0.61390 0.66233 -0.10100 157 7PY 0.40022 -0.61390 -0.40022 0.24369 -0.62409 158 7PZ -0.61390 0.40022 -0.40022 0.41863 0.52309 159 8PX 0.24277 0.24277 0.42762 -0.40512 0.06178 160 8PY -0.24277 0.42762 0.24277 -0.14906 0.38174 161 8PZ 0.42762 -0.24277 0.24277 -0.25606 -0.31996 162 9D 0 0.18513 -0.09257 0.09257 -0.02483 -0.03102 163 9D+1 0.01267 0.01839 -0.01267 -0.05825 0.14917 164 9D-1 -0.01267 -0.01267 0.01839 -0.15831 0.02414 165 9D+2 0.00000 -0.16033 -0.16033 0.03102 -0.02483 166 9D-2 0.01839 0.01267 -0.01267 -0.10006 -0.12503 167 9 O 1S -0.00160 0.00160 0.00160 0.00000 0.00000 168 2S -0.00613 0.00613 0.00613 0.00000 0.00000 169 3S 0.05414 -0.05414 -0.05414 0.00000 0.00000 170 4S -0.13030 0.13030 0.13030 0.00000 0.00000 171 5S -0.04184 0.04184 0.04184 0.00000 0.00000 172 6PX 0.24731 -0.24731 0.42758 0.44486 -0.06784 173 6PY 0.24731 0.42758 -0.24731 -0.16368 0.41918 174 6PZ 0.42758 0.24731 0.24731 0.28118 0.35134 175 7PX -0.40022 0.40022 -0.61390 -0.66233 0.10100 176 7PY -0.40022 -0.61390 0.40022 0.24369 -0.62409 177 7PZ -0.61390 -0.40022 -0.40022 -0.41863 -0.52309 178 8PX 0.24277 -0.24277 0.42762 0.40512 -0.06178 179 8PY 0.24277 0.42762 -0.24277 -0.14906 0.38174 180 8PZ 0.42762 0.24277 0.24277 0.25606 0.31996 181 9D 0 -0.18513 -0.09257 -0.09257 -0.02483 -0.03102 182 9D+1 -0.01267 0.01839 0.01267 -0.05825 0.14917 183 9D-1 -0.01267 0.01267 0.01839 0.15831 -0.02414 184 9D+2 0.00000 -0.16033 0.16033 0.03102 -0.02483 185 9D-2 0.01839 -0.01267 -0.01267 0.10006 0.12503 141 142 143 144 145 (T1)--V (T1)--V (T1)--V (E)--V (E)--V Eigenvalues -- 2.59167 2.59167 2.59167 2.59638 2.59638 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 -0.02217 0.00656 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00656 0.02217 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00979 -0.00289 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 -0.00289 -0.00979 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.03395 -0.01004 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 -0.01004 -0.03395 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.00000 0.00000 0.00000 38 5S 0.00000 0.00000 0.00000 0.00000 0.00000 39 6PX 0.00450 0.00000 0.00450 -0.01057 -0.01004 40 6PY -0.00450 0.00450 0.00000 -0.00341 0.01417 41 6PZ 0.00000 -0.00450 -0.00450 0.01397 -0.00413 42 7PX -0.01810 0.00000 -0.01810 0.03645 0.03462 43 7PY 0.01810 -0.01810 0.00000 0.01176 -0.04888 44 7PZ 0.00000 0.01810 0.01810 -0.04821 0.01426 45 8PX 0.06057 0.00000 0.06057 -0.04746 -0.04508 46 8PY -0.06057 0.06057 0.00000 -0.01531 0.06365 47 8PZ 0.00000 -0.06057 -0.06057 0.06277 -0.01856 48 9D 0 0.00000 0.06859 0.06859 -0.07320 0.02165 49 9D+1 0.07385 -0.07385 0.00000 0.02259 -0.09390 50 9D-1 -0.07385 0.00000 -0.07385 0.07003 0.06651 51 9D+2 -0.07920 0.03960 -0.03960 0.02165 0.07320 52 9D-2 0.00000 0.07385 0.07385 -0.09261 0.02739 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 0.00000 56 4S 0.00000 0.00000 0.00000 0.00000 0.00000 57 5S 0.00000 0.00000 0.00000 0.00000 0.00000 58 6PX -0.00450 0.00000 0.00450 0.01057 0.01004 59 6PY 0.00450 0.00450 0.00000 0.00341 -0.01417 60 6PZ 0.00000 0.00450 0.00450 0.01397 -0.00413 61 7PX 0.01810 0.00000 -0.01810 -0.03645 -0.03462 62 7PY -0.01810 -0.01810 0.00000 -0.01176 0.04888 63 7PZ 0.00000 -0.01810 -0.01810 -0.04821 0.01426 64 8PX -0.06057 0.00000 0.06057 0.04746 0.04508 65 8PY 0.06057 0.06057 0.00000 0.01531 -0.06365 66 8PZ 0.00000 0.06057 0.06057 0.06277 -0.01856 67 9D 0 0.00000 -0.06859 -0.06859 -0.07320 0.02165 68 9D+1 -0.07385 -0.07385 0.00000 -0.02259 0.09390 69 9D-1 0.07385 0.00000 -0.07385 -0.07003 -0.06651 70 9D+2 -0.07920 -0.03960 0.03960 0.02165 0.07320 71 9D-2 0.00000 -0.07385 -0.07385 -0.09261 0.02739 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00000 0.00000 0.00000 0.00000 0.00000 76 5S 0.00000 0.00000 0.00000 0.00000 0.00000 77 6PX 0.00450 0.00000 -0.00450 0.01057 0.01004 78 6PY 0.00450 -0.00450 0.00000 -0.00341 0.01417 79 6PZ 0.00000 -0.00450 0.00450 -0.01397 0.00413 80 7PX -0.01810 0.00000 0.01810 -0.03645 -0.03462 81 7PY -0.01810 0.01810 0.00000 0.01176 -0.04888 82 7PZ 0.00000 0.01810 -0.01810 0.04821 -0.01426 83 8PX 0.06057 0.00000 -0.06057 0.04746 0.04508 84 8PY 0.06057 -0.06057 0.00000 -0.01531 0.06365 85 8PZ 0.00000 -0.06057 0.06057 -0.06277 0.01856 86 9D 0 0.00000 -0.06859 0.06859 -0.07320 0.02165 87 9D+1 -0.07385 0.07385 0.00000 0.02259 -0.09390 88 9D-1 -0.07385 0.00000 0.07385 -0.07003 -0.06651 89 9D+2 0.07920 -0.03960 -0.03960 0.02165 0.07320 90 9D-2 0.00000 0.07385 -0.07385 0.09261 -0.02739 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 0.00000 0.00000 0.00000 0.00000 96 6PX -0.00450 0.00000 -0.00450 -0.01057 -0.01004 97 6PY -0.00450 -0.00450 0.00000 0.00341 -0.01417 98 6PZ 0.00000 0.00450 -0.00450 -0.01397 0.00413 99 7PX 0.01810 0.00000 0.01810 0.03645 0.03462 100 7PY 0.01810 0.01810 0.00000 -0.01176 0.04888 101 7PZ 0.00000 -0.01810 0.01810 0.04821 -0.01426 102 8PX -0.06057 0.00000 -0.06057 -0.04746 -0.04508 103 8PY -0.06057 -0.06057 0.00000 0.01531 -0.06365 104 8PZ 0.00000 0.06057 -0.06057 -0.06277 0.01856 105 9D 0 0.00000 0.06859 -0.06859 -0.07320 0.02165 106 9D+1 0.07385 0.07385 0.00000 -0.02259 0.09390 107 9D-1 0.07385 0.00000 0.07385 0.07003 0.06651 108 9D+2 0.07920 0.03960 0.03960 0.02165 0.07320 109 9D-2 0.00000 -0.07385 0.07385 0.09261 -0.02739 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX -0.07983 0.00000 -0.07983 0.09470 0.08995 116 6PY 0.07983 -0.07983 0.00000 0.03055 -0.12699 117 6PZ 0.00000 0.07983 0.07983 -0.12525 0.03704 118 7PX 0.12196 0.00000 0.12196 -0.14202 -0.13489 119 7PY -0.12196 0.12196 0.00000 -0.04581 0.19044 120 7PZ 0.00000 -0.12196 -0.12196 0.18783 -0.05555 121 8PX -0.08591 0.00000 -0.08591 0.08735 0.08296 122 8PY 0.08591 -0.08591 0.00000 0.02817 -0.11713 123 8PZ 0.00000 0.08591 0.08591 -0.11552 0.03416 124 9D 0 0.00000 -0.26485 -0.26485 0.28635 -0.08468 125 9D+1 -0.26776 0.26776 0.00000 -0.07068 0.29384 126 9D-1 0.26776 0.00000 0.26776 -0.21913 -0.20813 127 9D+2 0.30582 -0.15291 0.15291 -0.08468 -0.28635 128 9D-2 0.00000 -0.26776 -0.26776 0.28982 -0.08571 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX -0.07983 0.00000 0.07983 -0.09470 -0.08995 135 6PY -0.07983 0.07983 0.00000 0.03055 -0.12699 136 6PZ 0.00000 0.07983 -0.07983 0.12525 -0.03704 137 7PX 0.12196 0.00000 -0.12196 0.14202 0.13489 138 7PY 0.12196 -0.12196 0.00000 -0.04581 0.19044 139 7PZ 0.00000 -0.12196 0.12196 -0.18783 0.05555 140 8PX -0.08591 0.00000 0.08591 -0.08735 -0.08296 141 8PY -0.08591 0.08591 0.00000 0.02817 -0.11713 142 8PZ 0.00000 0.08591 -0.08591 0.11552 -0.03416 143 9D 0 0.00000 0.26485 -0.26485 0.28635 -0.08468 144 9D+1 0.26776 -0.26776 0.00000 -0.07068 0.29384 145 9D-1 0.26776 0.00000 -0.26776 0.21913 0.20813 146 9D+2 -0.30582 0.15291 0.15291 -0.08468 -0.28635 147 9D-2 0.00000 -0.26776 0.26776 -0.28982 0.08571 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.07983 0.00000 0.07983 0.09470 0.08995 154 6PY 0.07983 0.07983 0.00000 -0.03055 0.12699 155 6PZ 0.00000 -0.07983 0.07983 0.12525 -0.03704 156 7PX -0.12196 0.00000 -0.12196 -0.14202 -0.13489 157 7PY -0.12196 -0.12196 0.00000 0.04581 -0.19044 158 7PZ 0.00000 0.12196 -0.12196 -0.18783 0.05555 159 8PX 0.08591 0.00000 0.08591 0.08735 0.08296 160 8PY 0.08591 0.08591 0.00000 -0.02817 0.11713 161 8PZ 0.00000 -0.08591 0.08591 0.11552 -0.03416 162 9D 0 0.00000 -0.26485 0.26485 0.28635 -0.08468 163 9D+1 -0.26776 -0.26776 0.00000 0.07068 -0.29384 164 9D-1 -0.26776 0.00000 -0.26776 -0.21913 -0.20813 165 9D+2 -0.30582 -0.15291 -0.15291 -0.08468 -0.28635 166 9D-2 0.00000 0.26776 -0.26776 -0.28982 0.08571 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.07983 0.00000 -0.07983 -0.09470 -0.08995 173 6PY -0.07983 -0.07983 0.00000 -0.03055 0.12699 174 6PZ 0.00000 -0.07983 -0.07983 -0.12525 0.03704 175 7PX -0.12196 0.00000 0.12196 0.14202 0.13489 176 7PY 0.12196 0.12196 0.00000 0.04581 -0.19044 177 7PZ 0.00000 0.12196 0.12196 0.18783 -0.05555 178 8PX 0.08591 0.00000 -0.08591 -0.08735 -0.08296 179 8PY -0.08591 -0.08591 0.00000 -0.02817 0.11713 180 8PZ 0.00000 -0.08591 -0.08591 -0.11552 0.03416 181 9D 0 0.00000 0.26485 0.26485 0.28635 -0.08468 182 9D+1 0.26776 0.26776 0.00000 0.07068 -0.29384 183 9D-1 -0.26776 0.00000 0.26776 0.21913 0.20813 184 9D+2 0.30582 0.15291 -0.15291 -0.08468 -0.28635 185 9D-2 0.00000 0.26776 0.26776 0.28982 -0.08571 146 147 148 149 150 (T2)--V (T2)--V (T2)--V (T1)--V (T1)--V Eigenvalues -- 2.60178 2.60178 2.60178 2.62275 2.62275 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.01361 0.00000 0.00000 0.00000 8 7PY 0.01361 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.01361 0.00000 0.00000 10 8PX 0.00000 -0.05193 0.00000 0.00000 0.00000 11 8PY -0.05193 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 -0.05193 0.00000 0.00000 13 9PX 0.00000 0.06796 0.00000 0.00000 0.00000 14 9PY 0.06796 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.06796 0.00000 0.00000 16 10PX 0.00000 -0.03917 0.00000 0.00000 0.00000 17 10PY -0.03917 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 -0.03917 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 -0.01958 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 -0.01958 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 -0.01958 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 -0.00006 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 -0.00006 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.00006 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.09263 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.09263 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.09263 0.00000 0.00000 34 2 C 1S -0.00309 -0.00309 -0.00309 0.00000 0.00000 35 2S -0.00849 -0.00849 -0.00849 0.00000 0.00000 36 3S 0.09347 0.09347 0.09347 0.00000 0.00000 37 4S -0.28649 -0.28649 -0.28649 0.00000 0.00000 38 5S 0.31648 0.31648 0.31648 0.00000 0.00000 39 6PX -0.01480 -0.01491 -0.01480 0.02752 0.02752 40 6PY -0.01491 -0.01480 -0.01480 -0.02752 0.00000 41 6PZ -0.01480 -0.01480 -0.01491 0.00000 -0.02752 42 7PX 0.03021 0.05344 0.03021 -0.10929 -0.10929 43 7PY 0.05344 0.03021 0.03021 0.10929 0.00000 44 7PZ 0.03021 0.03021 0.05344 0.00000 0.10929 45 8PX -0.09349 -0.23534 -0.09349 0.37379 0.37379 46 8PY -0.23534 -0.09349 -0.09349 -0.37379 0.00000 47 8PZ -0.09349 -0.09349 -0.23534 0.00000 -0.37379 48 9D 0 0.04114 0.04114 -0.08229 0.00000 -0.00988 49 9D+1 -0.11703 0.04088 0.04088 -0.03466 0.00000 50 9D-1 0.04088 -0.11703 0.04088 0.03466 0.03466 51 9D+2 0.07126 -0.07126 0.00000 0.01141 0.00570 52 9D-2 0.04088 0.04088 -0.11703 0.00000 -0.03466 53 3 C 1S 0.00309 0.00309 -0.00309 0.00000 0.00000 54 2S 0.00849 0.00849 -0.00849 0.00000 0.00000 55 3S -0.09347 -0.09347 0.09347 0.00000 0.00000 56 4S 0.28649 0.28649 -0.28649 0.00000 0.00000 57 5S -0.31648 -0.31648 0.31648 0.00000 0.00000 58 6PX -0.01480 -0.01491 0.01480 -0.02752 0.02752 59 6PY -0.01491 -0.01480 0.01480 0.02752 0.00000 60 6PZ 0.01480 0.01480 -0.01491 0.00000 0.02752 61 7PX 0.03021 0.05344 -0.03021 0.10929 -0.10929 62 7PY 0.05344 0.03021 -0.03021 -0.10929 0.00000 63 7PZ -0.03021 -0.03021 0.05344 0.00000 -0.10929 64 8PX -0.09349 -0.23534 0.09349 -0.37379 0.37379 65 8PY -0.23534 -0.09349 0.09349 0.37379 0.00000 66 8PZ 0.09349 0.09349 -0.23534 0.00000 0.37379 67 9D 0 -0.04114 -0.04114 -0.08229 0.00000 0.00988 68 9D+1 -0.11703 0.04088 -0.04088 0.03466 0.00000 69 9D-1 0.04088 -0.11703 -0.04088 -0.03466 0.03466 70 9D+2 -0.07126 0.07126 0.00000 0.01141 -0.00570 71 9D-2 -0.04088 -0.04088 -0.11703 0.00000 0.03466 72 4 C 1S -0.00309 0.00309 0.00309 0.00000 0.00000 73 2S -0.00849 0.00849 0.00849 0.00000 0.00000 74 3S 0.09347 -0.09347 -0.09347 0.00000 0.00000 75 4S -0.28649 0.28649 0.28649 0.00000 0.00000 76 5S 0.31648 -0.31648 -0.31648 0.00000 0.00000 77 6PX 0.01480 -0.01491 -0.01480 0.02752 -0.02752 78 6PY -0.01491 0.01480 0.01480 0.02752 0.00000 79 6PZ 0.01480 -0.01480 -0.01491 0.00000 0.02752 80 7PX -0.03021 0.05344 0.03021 -0.10929 0.10929 81 7PY 0.05344 -0.03021 -0.03021 -0.10929 0.00000 82 7PZ -0.03021 0.03021 0.05344 0.00000 -0.10929 83 8PX 0.09349 -0.23534 -0.09349 0.37379 -0.37379 84 8PY -0.23534 0.09349 0.09349 0.37379 0.00000 85 8PZ 0.09349 -0.09349 -0.23534 0.00000 0.37379 86 9D 0 0.04114 -0.04114 0.08229 0.00000 -0.00988 87 9D+1 -0.11703 -0.04088 -0.04088 0.03466 0.00000 88 9D-1 -0.04088 -0.11703 0.04088 0.03466 -0.03466 89 9D+2 0.07126 0.07126 0.00000 -0.01141 0.00570 90 9D-2 -0.04088 0.04088 -0.11703 0.00000 0.03466 91 5 C 1S 0.00309 -0.00309 0.00309 0.00000 0.00000 92 2S 0.00849 -0.00849 0.00849 0.00000 0.00000 93 3S -0.09347 0.09347 -0.09347 0.00000 0.00000 94 4S 0.28649 -0.28649 0.28649 0.00000 0.00000 95 5S -0.31648 0.31648 -0.31648 0.00000 0.00000 96 6PX 0.01480 -0.01491 0.01480 -0.02752 -0.02752 97 6PY -0.01491 0.01480 -0.01480 -0.02752 0.00000 98 6PZ -0.01480 0.01480 -0.01491 0.00000 -0.02752 99 7PX -0.03021 0.05344 -0.03021 0.10929 0.10929 100 7PY 0.05344 -0.03021 0.03021 0.10929 0.00000 101 7PZ 0.03021 -0.03021 0.05344 0.00000 0.10929 102 8PX 0.09349 -0.23534 0.09349 -0.37379 -0.37379 103 8PY -0.23534 0.09349 -0.09349 -0.37379 0.00000 104 8PZ -0.09349 0.09349 -0.23534 0.00000 -0.37379 105 9D 0 -0.04114 0.04114 0.08229 0.00000 0.00988 106 9D+1 -0.11703 -0.04088 0.04088 -0.03466 0.00000 107 9D-1 -0.04088 -0.11703 -0.04088 -0.03466 -0.03466 108 9D+2 -0.07126 -0.07126 0.00000 -0.01141 -0.00570 109 9D-2 0.04088 -0.04088 -0.11703 0.00000 -0.03466 110 6 O 1S 0.00133 0.00133 0.00133 0.00000 0.00000 111 2S 0.00491 0.00491 0.00491 0.00000 0.00000 112 3S -0.04059 -0.04059 -0.04059 0.00000 0.00000 113 4S 0.07296 0.07296 0.07296 0.00000 0.00000 114 5S 0.03296 0.03296 0.03296 0.00000 0.00000 115 6PX -0.01200 0.14507 -0.01200 -0.39578 -0.39578 116 6PY 0.14507 -0.01200 -0.01200 0.39578 0.00000 117 6PZ -0.01200 -0.01200 0.14507 0.00000 0.39578 118 7PX 0.00572 -0.23586 0.00572 0.61758 0.61758 119 7PY -0.23586 0.00572 0.00572 -0.61758 0.00000 120 7PZ 0.00572 0.00572 -0.23586 0.00000 -0.61758 121 8PX -0.00640 0.17438 -0.00640 -0.46893 -0.46893 122 8PY 0.17438 -0.00640 -0.00640 0.46893 0.00000 123 8PZ -0.00640 -0.00640 0.17438 0.00000 0.46893 124 9D 0 -0.12414 -0.12414 0.24829 0.00000 -0.06530 125 9D+1 0.31009 -0.18466 -0.18466 0.11982 0.00000 126 9D-1 -0.18466 0.31009 -0.18466 -0.11982 -0.11982 127 9D+2 -0.21502 0.21502 0.00000 0.07541 0.03770 128 9D-2 -0.18466 -0.18466 0.31009 0.00000 0.11982 129 7 O 1S 0.00133 -0.00133 -0.00133 0.00000 0.00000 130 2S 0.00491 -0.00491 -0.00491 0.00000 0.00000 131 3S -0.04059 0.04059 0.04059 0.00000 0.00000 132 4S 0.07296 -0.07296 -0.07296 0.00000 0.00000 133 5S 0.03296 -0.03296 -0.03296 0.00000 0.00000 134 6PX 0.01200 0.14507 -0.01200 -0.39578 0.39578 135 6PY 0.14507 0.01200 0.01200 -0.39578 0.00000 136 6PZ 0.01200 -0.01200 0.14507 0.00000 -0.39578 137 7PX -0.00572 -0.23586 0.00572 0.61758 -0.61758 138 7PY -0.23586 -0.00572 -0.00572 0.61758 0.00000 139 7PZ -0.00572 0.00572 -0.23586 0.00000 0.61758 140 8PX 0.00640 0.17438 -0.00640 -0.46893 0.46893 141 8PY 0.17438 0.00640 0.00640 -0.46893 0.00000 142 8PZ 0.00640 -0.00640 0.17438 0.00000 -0.46893 143 9D 0 -0.12414 0.12414 -0.24829 0.00000 -0.06530 144 9D+1 0.31009 0.18466 0.18466 -0.11982 0.00000 145 9D-1 0.18466 0.31009 -0.18466 -0.11982 0.11982 146 9D+2 -0.21502 -0.21502 0.00000 -0.07541 0.03770 147 9D-2 0.18466 -0.18466 0.31009 0.00000 -0.11982 148 8 O 1S -0.00133 0.00133 -0.00133 0.00000 0.00000 149 2S -0.00491 0.00491 -0.00491 0.00000 0.00000 150 3S 0.04059 -0.04059 0.04059 0.00000 0.00000 151 4S -0.07296 0.07296 -0.07296 0.00000 0.00000 152 5S -0.03296 0.03296 -0.03296 0.00000 0.00000 153 6PX 0.01200 0.14507 0.01200 0.39578 0.39578 154 6PY 0.14507 0.01200 -0.01200 0.39578 0.00000 155 6PZ -0.01200 0.01200 0.14507 0.00000 0.39578 156 7PX -0.00572 -0.23586 -0.00572 -0.61758 -0.61758 157 7PY -0.23586 -0.00572 0.00572 -0.61758 0.00000 158 7PZ 0.00572 -0.00572 -0.23586 0.00000 -0.61758 159 8PX 0.00640 0.17438 0.00640 0.46893 0.46893 160 8PY 0.17438 0.00640 -0.00640 0.46893 0.00000 161 8PZ -0.00640 0.00640 0.17438 0.00000 0.46893 162 9D 0 0.12414 -0.12414 -0.24829 0.00000 0.06530 163 9D+1 0.31009 0.18466 -0.18466 0.11982 0.00000 164 9D-1 0.18466 0.31009 0.18466 0.11982 0.11982 165 9D+2 0.21502 0.21502 0.00000 -0.07541 -0.03770 166 9D-2 -0.18466 0.18466 0.31009 0.00000 0.11982 167 9 O 1S -0.00133 -0.00133 0.00133 0.00000 0.00000 168 2S -0.00491 -0.00491 0.00491 0.00000 0.00000 169 3S 0.04059 0.04059 -0.04059 0.00000 0.00000 170 4S -0.07296 -0.07296 0.07296 0.00000 0.00000 171 5S -0.03296 -0.03296 0.03296 0.00000 0.00000 172 6PX -0.01200 0.14507 0.01200 0.39578 -0.39578 173 6PY 0.14507 -0.01200 0.01200 -0.39578 0.00000 174 6PZ 0.01200 0.01200 0.14507 0.00000 -0.39578 175 7PX 0.00572 -0.23586 -0.00572 -0.61758 0.61758 176 7PY -0.23586 0.00572 -0.00572 0.61758 0.00000 177 7PZ -0.00572 -0.00572 -0.23586 0.00000 0.61758 178 8PX -0.00640 0.17438 0.00640 0.46893 -0.46893 179 8PY 0.17438 -0.00640 0.00640 -0.46893 0.00000 180 8PZ 0.00640 0.00640 0.17438 0.00000 -0.46893 181 9D 0 0.12414 0.12414 0.24829 0.00000 0.06530 182 9D+1 0.31009 -0.18466 0.18466 -0.11982 0.00000 183 9D-1 -0.18466 0.31009 0.18466 0.11982 -0.11982 184 9D+2 0.21502 -0.21502 0.00000 0.07541 -0.03770 185 9D-2 0.18466 0.18466 0.31009 0.00000 -0.11982 151 152 153 154 155 (T1)--V (A1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 2.62275 2.80547 2.92791 2.92791 2.92791 1 1 Ni 1S 0.00000 -0.00961 0.00000 0.00000 0.00000 2 2S 0.00000 0.03147 0.00000 0.00000 0.00000 3 3S 0.00000 -0.07870 0.00000 0.00000 0.00000 4 4S 0.00000 -0.23555 0.00000 0.00000 0.00000 5 5S 0.00000 2.55133 0.00000 0.00000 0.00000 6 6S 0.00000 -0.61050 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.08683 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 -0.08683 9 7PZ 0.00000 0.00000 0.00000 -0.08683 0.00000 10 8PX 0.00000 0.00000 0.33031 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.33031 12 8PZ 0.00000 0.00000 0.00000 0.33031 0.00000 13 9PX 0.00000 0.00000 -0.39935 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 -0.39935 15 9PZ 0.00000 0.00000 0.00000 -0.39935 0.00000 16 10PX 0.00000 0.00000 -1.51280 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 -1.51280 18 10PZ 0.00000 0.00000 0.00000 -1.51280 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 -0.00749 21 11D-1 0.00000 0.00000 -0.00749 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.00749 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.12620 26 12D-1 0.00000 0.00000 0.12620 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.12620 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 -0.67909 31 13D-1 0.00000 0.00000 -0.67909 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.67909 0.00000 34 2 C 1S 0.00000 -0.00019 -0.00379 -0.00379 -0.00379 35 2S 0.00000 -0.01199 -0.00072 -0.00072 -0.00072 36 3S 0.00000 0.30711 -0.12057 -0.12057 -0.12057 37 4S 0.00000 -0.49862 -0.17324 -0.17324 -0.17324 38 5S 0.00000 0.44372 -0.07233 -0.07233 -0.07233 39 6PX 0.00000 -0.05533 0.05248 0.06004 0.06004 40 6PY 0.02752 -0.05533 0.06004 0.06004 0.05248 41 6PZ -0.02752 -0.05533 0.06004 0.05248 0.06004 42 7PX 0.00000 0.15676 -0.32172 -0.33714 -0.33714 43 7PY -0.10929 0.15676 -0.33714 -0.33714 -0.32172 44 7PZ 0.10929 0.15676 -0.33714 -0.32172 -0.33714 45 8PX 0.00000 0.38272 -0.72516 -0.72487 -0.72487 46 8PY 0.37379 0.38272 -0.72487 -0.72487 -0.72516 47 8PZ -0.37379 0.38272 -0.72487 -0.72516 -0.72487 48 9D 0 -0.00988 0.00000 -0.00123 0.00245 -0.00123 49 9D+1 0.03466 -0.22389 0.18573 0.18573 0.20270 50 9D-1 0.00000 -0.22389 0.20270 0.18573 0.18573 51 9D+2 -0.00570 0.00000 0.00212 0.00000 -0.00212 52 9D-2 -0.03466 -0.22389 0.18573 0.20270 0.18573 53 3 C 1S 0.00000 -0.00019 0.00379 -0.00379 0.00379 54 2S 0.00000 -0.01199 0.00072 -0.00072 0.00072 55 3S 0.00000 0.30711 0.12057 -0.12057 0.12057 56 4S 0.00000 -0.49862 0.17324 -0.17324 0.17324 57 5S 0.00000 0.44372 0.07233 -0.07233 0.07233 58 6PX 0.00000 0.05533 0.05248 -0.06004 0.06004 59 6PY 0.02752 0.05533 0.06004 -0.06004 0.05248 60 6PZ 0.02752 -0.05533 -0.06004 0.05248 -0.06004 61 7PX 0.00000 -0.15676 -0.32172 0.33714 -0.33714 62 7PY -0.10929 -0.15676 -0.33714 0.33714 -0.32172 63 7PZ -0.10929 0.15676 0.33714 -0.32172 0.33714 64 8PX 0.00000 -0.38272 -0.72516 0.72487 -0.72487 65 8PY 0.37379 -0.38272 -0.72487 0.72487 -0.72516 66 8PZ 0.37379 0.38272 0.72487 -0.72516 0.72487 67 9D 0 0.00988 0.00000 0.00123 0.00245 0.00123 68 9D+1 0.03466 0.22389 0.18573 -0.18573 0.20270 69 9D-1 0.00000 0.22389 0.20270 -0.18573 0.18573 70 9D+2 0.00570 0.00000 -0.00212 0.00000 0.00212 71 9D-2 0.03466 -0.22389 -0.18573 0.20270 -0.18573 72 4 C 1S 0.00000 -0.00019 0.00379 0.00379 -0.00379 73 2S 0.00000 -0.01199 0.00072 0.00072 -0.00072 74 3S 0.00000 0.30711 0.12057 0.12057 -0.12057 75 4S 0.00000 -0.49862 0.17324 0.17324 -0.17324 76 5S 0.00000 0.44372 0.07233 0.07233 -0.07233 77 6PX 0.00000 0.05533 0.05248 0.06004 -0.06004 78 6PY -0.02752 -0.05533 -0.06004 -0.06004 0.05248 79 6PZ -0.02752 0.05533 0.06004 0.05248 -0.06004 80 7PX 0.00000 -0.15676 -0.32172 -0.33714 0.33714 81 7PY 0.10929 0.15676 0.33714 0.33714 -0.32172 82 7PZ 0.10929 -0.15676 -0.33714 -0.32172 0.33714 83 8PX 0.00000 -0.38272 -0.72516 -0.72487 0.72487 84 8PY -0.37379 0.38272 0.72487 0.72487 -0.72516 85 8PZ -0.37379 -0.38272 -0.72487 -0.72516 0.72487 86 9D 0 0.00988 0.00000 0.00123 -0.00245 -0.00123 87 9D+1 -0.03466 -0.22389 -0.18573 -0.18573 0.20270 88 9D-1 0.00000 0.22389 0.20270 0.18573 -0.18573 89 9D+2 0.00570 0.00000 -0.00212 0.00000 -0.00212 90 9D-2 -0.03466 0.22389 0.18573 0.20270 -0.18573 91 5 C 1S 0.00000 -0.00019 -0.00379 0.00379 0.00379 92 2S 0.00000 -0.01199 -0.00072 0.00072 0.00072 93 3S 0.00000 0.30711 -0.12057 0.12057 0.12057 94 4S 0.00000 -0.49862 -0.17324 0.17324 0.17324 95 5S 0.00000 0.44372 -0.07233 0.07233 0.07233 96 6PX 0.00000 -0.05533 0.05248 -0.06004 -0.06004 97 6PY -0.02752 0.05533 -0.06004 0.06004 0.05248 98 6PZ 0.02752 0.05533 -0.06004 0.05248 0.06004 99 7PX 0.00000 0.15676 -0.32172 0.33714 0.33714 100 7PY 0.10929 -0.15676 0.33714 -0.33714 -0.32172 101 7PZ -0.10929 -0.15676 0.33714 -0.32172 -0.33714 102 8PX 0.00000 0.38272 -0.72516 0.72487 0.72487 103 8PY -0.37379 -0.38272 0.72487 -0.72487 -0.72516 104 8PZ 0.37379 -0.38272 0.72487 -0.72516 -0.72487 105 9D 0 -0.00988 0.00000 -0.00123 -0.00245 0.00123 106 9D+1 -0.03466 0.22389 -0.18573 0.18573 0.20270 107 9D-1 0.00000 -0.22389 0.20270 -0.18573 -0.18573 108 9D+2 -0.00570 0.00000 0.00212 0.00000 0.00212 109 9D-2 0.03466 0.22389 -0.18573 0.20270 0.18573 110 6 O 1S 0.00000 0.00460 -0.03155 -0.03155 -0.03155 111 2S 0.00000 0.01990 -0.11299 -0.11299 -0.11299 112 3S 0.00000 -0.24494 0.89409 0.89409 0.89409 113 4S 0.00000 0.77903 -1.77897 -1.77897 -1.77897 114 5S 0.00000 -1.13657 2.47504 2.47504 2.47504 115 6PX 0.00000 -0.31274 0.25159 0.26683 0.26683 116 6PY -0.39578 -0.31274 0.26683 0.26683 0.25159 117 6PZ 0.39578 -0.31274 0.26683 0.25159 0.26683 118 7PX 0.00000 0.33380 -0.29738 -0.32336 -0.32336 119 7PY 0.61758 0.33380 -0.32336 -0.32336 -0.29738 120 7PZ -0.61758 0.33380 -0.32336 -0.29738 -0.32336 121 8PX 0.00000 -0.11004 -0.08387 -0.06206 -0.06206 122 8PY -0.46893 -0.11004 -0.06206 -0.06206 -0.08387 123 8PZ 0.46893 -0.11004 -0.06206 -0.08387 -0.06206 124 9D 0 -0.06530 0.00000 0.00862 -0.01723 0.00862 125 9D+1 -0.11982 0.06733 -0.00266 -0.00266 -0.01403 126 9D-1 0.00000 0.06733 -0.01403 -0.00266 -0.00266 127 9D+2 -0.03770 0.00000 -0.01492 0.00000 0.01492 128 9D-2 0.11982 0.06733 -0.00266 -0.01403 -0.00266 129 7 O 1S 0.00000 0.00460 0.03155 0.03155 -0.03155 130 2S 0.00000 0.01990 0.11299 0.11299 -0.11299 131 3S 0.00000 -0.24494 -0.89409 -0.89409 0.89409 132 4S 0.00000 0.77903 1.77897 1.77897 -1.77897 133 5S 0.00000 -1.13657 -2.47504 -2.47504 2.47504 134 6PX 0.00000 0.31274 0.25159 0.26683 -0.26683 135 6PY 0.39578 -0.31274 -0.26683 -0.26683 0.25159 136 6PZ 0.39578 0.31274 0.26683 0.25159 -0.26683 137 7PX 0.00000 -0.33380 -0.29738 -0.32336 0.32336 138 7PY -0.61758 0.33380 0.32336 0.32336 -0.29738 139 7PZ -0.61758 -0.33380 -0.32336 -0.29738 0.32336 140 8PX 0.00000 0.11004 -0.08387 -0.06206 0.06206 141 8PY 0.46893 -0.11004 0.06206 0.06206 -0.08387 142 8PZ 0.46893 0.11004 -0.06206 -0.08387 0.06206 143 9D 0 0.06530 0.00000 -0.00862 0.01723 0.00862 144 9D+1 0.11982 0.06733 0.00266 0.00266 -0.01403 145 9D-1 0.00000 -0.06733 -0.01403 -0.00266 0.00266 146 9D+2 0.03770 0.00000 0.01492 0.00000 0.01492 147 9D-2 0.11982 -0.06733 -0.00266 -0.01403 0.00266 148 8 O 1S 0.00000 0.00460 -0.03155 0.03155 0.03155 149 2S 0.00000 0.01990 -0.11299 0.11299 0.11299 150 3S 0.00000 -0.24494 0.89409 -0.89409 -0.89409 151 4S 0.00000 0.77903 -1.77897 1.77897 1.77897 152 5S 0.00000 -1.13657 2.47504 -2.47504 -2.47504 153 6PX 0.00000 -0.31274 0.25159 -0.26683 -0.26683 154 6PY 0.39578 0.31274 -0.26683 0.26683 0.25159 155 6PZ -0.39578 0.31274 -0.26683 0.25159 0.26683 156 7PX 0.00000 0.33380 -0.29738 0.32336 0.32336 157 7PY -0.61758 -0.33380 0.32336 -0.32336 -0.29738 158 7PZ 0.61758 -0.33380 0.32336 -0.29738 -0.32336 159 8PX 0.00000 -0.11004 -0.08387 0.06206 0.06206 160 8PY 0.46893 0.11004 0.06206 -0.06206 -0.08387 161 8PZ -0.46893 0.11004 0.06206 -0.08387 -0.06206 162 9D 0 -0.06530 0.00000 0.00862 0.01723 -0.00862 163 9D+1 0.11982 -0.06733 0.00266 -0.00266 -0.01403 164 9D-1 0.00000 0.06733 -0.01403 0.00266 0.00266 165 9D+2 -0.03770 0.00000 -0.01492 0.00000 -0.01492 166 9D-2 -0.11982 -0.06733 0.00266 -0.01403 -0.00266 167 9 O 1S 0.00000 0.00460 0.03155 -0.03155 0.03155 168 2S 0.00000 0.01990 0.11299 -0.11299 0.11299 169 3S 0.00000 -0.24494 -0.89409 0.89409 -0.89409 170 4S 0.00000 0.77903 1.77897 -1.77897 1.77897 171 5S 0.00000 -1.13657 -2.47504 2.47504 -2.47504 172 6PX 0.00000 0.31274 0.25159 -0.26683 0.26683 173 6PY -0.39578 0.31274 0.26683 -0.26683 0.25159 174 6PZ -0.39578 -0.31274 -0.26683 0.25159 -0.26683 175 7PX 0.00000 -0.33380 -0.29738 0.32336 -0.32336 176 7PY 0.61758 -0.33380 -0.32336 0.32336 -0.29738 177 7PZ 0.61758 0.33380 0.32336 -0.29738 0.32336 178 8PX 0.00000 0.11004 -0.08387 0.06206 -0.06206 179 8PY -0.46893 0.11004 -0.06206 0.06206 -0.08387 180 8PZ -0.46893 -0.11004 0.06206 -0.08387 0.06206 181 9D 0 0.06530 0.00000 -0.00862 -0.01723 -0.00862 182 9D+1 -0.11982 -0.06733 -0.00266 0.00266 -0.01403 183 9D-1 0.00000 -0.06733 -0.01403 0.00266 -0.00266 184 9D+2 0.03770 0.00000 0.01492 0.00000 -0.01492 185 9D-2 -0.11982 0.06733 0.00266 -0.01403 0.00266 156 157 158 159 160 (A1)--V (T2)--V (T2)--V (T2)--V (T1)--V Eigenvalues -- 3.10545 3.15077 3.15077 3.15077 3.22277 1 1 Ni 1S 0.00583 0.00000 0.00000 0.00000 0.00000 2 2S 0.01388 0.00000 0.00000 0.00000 0.00000 3 3S 0.10208 0.00000 0.00000 0.00000 0.00000 4 4S -0.21576 0.00000 0.00000 0.00000 0.00000 5 5S -0.51371 0.00000 0.00000 0.00000 0.00000 6 6S 2.14348 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.09136 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.09136 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.09136 0.00000 10 8PX 0.00000 -0.35073 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 -0.35073 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.35073 0.00000 13 9PX 0.00000 0.44491 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.44491 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.44491 0.00000 16 10PX 0.00000 0.65121 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.65121 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.65121 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.02626 0.00000 0.00000 21 11D-1 0.00000 0.02626 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.02626 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.13431 0.00000 0.00000 26 12D-1 0.00000 -0.13431 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.13431 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.62772 0.00000 0.00000 31 13D-1 0.00000 0.62772 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.62772 0.00000 34 2 C 1S 0.00175 -0.00236 -0.00236 -0.00236 0.00000 35 2S -0.00238 -0.01903 -0.01903 -0.01903 0.00000 36 3S 0.14124 0.40717 0.40717 0.40717 0.00000 37 4S -0.81433 -1.35573 -1.35573 -1.35573 0.00000 38 5S -1.93968 -0.43719 -0.43719 -0.43719 0.00000 39 6PX 0.00493 0.00564 -0.04385 -0.04385 0.01041 40 6PY 0.00493 -0.04385 0.00564 -0.04385 -0.01041 41 6PZ 0.00493 -0.04385 -0.04385 0.00564 0.00000 42 7PX -0.09664 0.10032 0.13316 0.13316 0.17889 43 7PY -0.09664 0.13316 0.10032 0.13316 -0.17889 44 7PZ -0.09664 0.13316 0.13316 0.10032 0.00000 45 8PX -0.48580 -0.41602 -0.34439 -0.34439 -0.14389 46 8PY -0.48580 -0.34439 -0.41602 -0.34439 0.14389 47 8PZ -0.48580 -0.34439 -0.34439 -0.41602 0.00000 48 9D 0 0.00000 -0.03541 -0.03541 0.07083 0.00000 49 9D+1 -0.07695 -0.15373 -0.26083 -0.15373 0.15828 50 9D-1 -0.07695 -0.26083 -0.15373 -0.15373 -0.15828 51 9D+2 0.00000 0.06134 -0.06134 0.00000 0.30871 52 9D-2 -0.07695 -0.15373 -0.15373 -0.26083 0.00000 53 3 C 1S 0.00175 0.00236 0.00236 -0.00236 0.00000 54 2S -0.00238 0.01903 0.01903 -0.01903 0.00000 55 3S 0.14124 -0.40717 -0.40717 0.40717 0.00000 56 4S -0.81433 1.35573 1.35573 -1.35573 0.00000 57 5S -1.93968 0.43719 0.43719 -0.43719 0.00000 58 6PX -0.00493 0.00564 -0.04385 0.04385 -0.01041 59 6PY -0.00493 -0.04385 0.00564 0.04385 0.01041 60 6PZ 0.00493 0.04385 0.04385 0.00564 0.00000 61 7PX 0.09664 0.10032 0.13316 -0.13316 -0.17889 62 7PY 0.09664 0.13316 0.10032 -0.13316 0.17889 63 7PZ -0.09664 -0.13316 -0.13316 0.10032 0.00000 64 8PX 0.48580 -0.41602 -0.34439 0.34439 0.14389 65 8PY 0.48580 -0.34439 -0.41602 0.34439 -0.14389 66 8PZ -0.48580 0.34439 0.34439 -0.41602 0.00000 67 9D 0 0.00000 0.03541 0.03541 0.07083 0.00000 68 9D+1 0.07695 -0.15373 -0.26083 0.15373 -0.15828 69 9D-1 0.07695 -0.26083 -0.15373 0.15373 0.15828 70 9D+2 0.00000 -0.06134 0.06134 0.00000 0.30871 71 9D-2 -0.07695 0.15373 0.15373 -0.26083 0.00000 72 4 C 1S 0.00175 0.00236 -0.00236 0.00236 0.00000 73 2S -0.00238 0.01903 -0.01903 0.01903 0.00000 74 3S 0.14124 -0.40717 0.40717 -0.40717 0.00000 75 4S -0.81433 1.35573 -1.35573 1.35573 0.00000 76 5S -1.93968 0.43719 -0.43719 0.43719 0.00000 77 6PX -0.00493 0.00564 0.04385 -0.04385 0.01041 78 6PY 0.00493 0.04385 0.00564 0.04385 0.01041 79 6PZ -0.00493 -0.04385 0.04385 0.00564 0.00000 80 7PX 0.09664 0.10032 -0.13316 0.13316 0.17889 81 7PY -0.09664 -0.13316 0.10032 -0.13316 0.17889 82 7PZ 0.09664 0.13316 -0.13316 0.10032 0.00000 83 8PX 0.48580 -0.41602 0.34439 -0.34439 -0.14389 84 8PY -0.48580 0.34439 -0.41602 0.34439 -0.14389 85 8PZ 0.48580 -0.34439 0.34439 -0.41602 0.00000 86 9D 0 0.00000 0.03541 -0.03541 -0.07083 0.00000 87 9D+1 -0.07695 0.15373 -0.26083 0.15373 -0.15828 88 9D-1 0.07695 -0.26083 0.15373 -0.15373 -0.15828 89 9D+2 0.00000 -0.06134 -0.06134 0.00000 -0.30871 90 9D-2 0.07695 -0.15373 0.15373 -0.26083 0.00000 91 5 C 1S 0.00175 -0.00236 0.00236 0.00236 0.00000 92 2S -0.00238 -0.01903 0.01903 0.01903 0.00000 93 3S 0.14124 0.40717 -0.40717 -0.40717 0.00000 94 4S -0.81433 -1.35573 1.35573 1.35573 0.00000 95 5S -1.93968 -0.43719 0.43719 0.43719 0.00000 96 6PX 0.00493 0.00564 0.04385 0.04385 -0.01041 97 6PY -0.00493 0.04385 0.00564 -0.04385 -0.01041 98 6PZ -0.00493 0.04385 -0.04385 0.00564 0.00000 99 7PX -0.09664 0.10032 -0.13316 -0.13316 -0.17889 100 7PY 0.09664 -0.13316 0.10032 0.13316 -0.17889 101 7PZ 0.09664 -0.13316 0.13316 0.10032 0.00000 102 8PX -0.48580 -0.41602 0.34439 0.34439 0.14389 103 8PY 0.48580 0.34439 -0.41602 -0.34439 0.14389 104 8PZ 0.48580 0.34439 -0.34439 -0.41602 0.00000 105 9D 0 0.00000 -0.03541 0.03541 -0.07083 0.00000 106 9D+1 0.07695 0.15373 -0.26083 -0.15373 0.15828 107 9D-1 -0.07695 -0.26083 0.15373 0.15373 0.15828 108 9D+2 0.00000 0.06134 0.06134 0.00000 -0.30871 109 9D-2 0.07695 0.15373 -0.15373 -0.26083 0.00000 110 6 O 1S -0.06358 -0.05374 -0.05374 -0.05374 0.00000 111 2S -0.22127 -0.18474 -0.18474 -0.18474 0.00000 112 3S 1.61356 1.29661 1.29661 1.29661 0.00000 113 4S -2.79883 -2.05502 -2.05502 -2.05502 0.00000 114 5S 3.47591 2.25695 2.25695 2.25695 0.00000 115 6PX -0.00601 -0.06708 -0.11856 -0.11856 0.13695 116 6PY -0.00601 -0.11856 -0.06708 -0.11856 -0.13695 117 6PZ -0.00601 -0.11856 -0.11856 -0.06708 0.00000 118 7PX -0.03207 -0.01137 0.09982 0.09982 -0.29979 119 7PY -0.03207 0.09982 -0.01137 0.09982 0.29979 120 7PZ -0.03207 0.09982 0.09982 -0.01137 0.00000 121 8PX -0.39451 -0.25931 -0.31103 -0.31103 0.10126 122 8PY -0.39451 -0.31103 -0.25931 -0.31103 -0.10126 123 8PZ -0.39451 -0.31103 -0.31103 -0.25931 0.00000 124 9D 0 0.00000 -0.05996 -0.05996 0.11993 0.00000 125 9D+1 0.10585 0.11672 0.03367 0.11672 0.21266 126 9D-1 0.10585 0.03367 0.11672 0.11672 -0.21266 127 9D+2 0.00000 0.10386 -0.10386 0.00000 0.42601 128 9D-2 0.10585 0.11672 0.11672 0.03367 0.00000 129 7 O 1S -0.06358 0.05374 -0.05374 0.05374 0.00000 130 2S -0.22127 0.18474 -0.18474 0.18474 0.00000 131 3S 1.61356 -1.29661 1.29661 -1.29661 0.00000 132 4S -2.79883 2.05502 -2.05502 2.05502 0.00000 133 5S 3.47591 -2.25695 2.25695 -2.25695 0.00000 134 6PX 0.00601 -0.06708 0.11856 -0.11856 0.13695 135 6PY -0.00601 0.11856 -0.06708 0.11856 0.13695 136 6PZ 0.00601 -0.11856 0.11856 -0.06708 0.00000 137 7PX 0.03207 -0.01137 -0.09982 0.09982 -0.29979 138 7PY -0.03207 -0.09982 -0.01137 -0.09982 -0.29979 139 7PZ 0.03207 0.09982 -0.09982 -0.01137 0.00000 140 8PX 0.39451 -0.25931 0.31103 -0.31103 0.10126 141 8PY -0.39451 0.31103 -0.25931 0.31103 0.10126 142 8PZ 0.39451 -0.31103 0.31103 -0.25931 0.00000 143 9D 0 0.00000 0.05996 -0.05996 -0.11993 0.00000 144 9D+1 0.10585 -0.11672 0.03367 -0.11672 -0.21266 145 9D-1 -0.10585 0.03367 -0.11672 0.11672 -0.21266 146 9D+2 0.00000 -0.10386 -0.10386 0.00000 -0.42601 147 9D-2 -0.10585 0.11672 -0.11672 0.03367 0.00000 148 8 O 1S -0.06358 -0.05374 0.05374 0.05374 0.00000 149 2S -0.22127 -0.18474 0.18474 0.18474 0.00000 150 3S 1.61356 1.29661 -1.29661 -1.29661 0.00000 151 4S -2.79883 -2.05502 2.05502 2.05502 0.00000 152 5S 3.47591 2.25695 -2.25695 -2.25695 0.00000 153 6PX -0.00601 -0.06708 0.11856 0.11856 -0.13695 154 6PY 0.00601 0.11856 -0.06708 -0.11856 -0.13695 155 6PZ 0.00601 0.11856 -0.11856 -0.06708 0.00000 156 7PX -0.03207 -0.01137 -0.09982 -0.09982 0.29979 157 7PY 0.03207 -0.09982 -0.01137 0.09982 0.29979 158 7PZ 0.03207 -0.09982 0.09982 -0.01137 0.00000 159 8PX -0.39451 -0.25931 0.31103 0.31103 -0.10126 160 8PY 0.39451 0.31103 -0.25931 -0.31103 -0.10126 161 8PZ 0.39451 0.31103 -0.31103 -0.25931 0.00000 162 9D 0 0.00000 -0.05996 0.05996 -0.11993 0.00000 163 9D+1 -0.10585 -0.11672 0.03367 0.11672 0.21266 164 9D-1 0.10585 0.03367 -0.11672 -0.11672 0.21266 165 9D+2 0.00000 0.10386 0.10386 0.00000 -0.42601 166 9D-2 -0.10585 -0.11672 0.11672 0.03367 0.00000 167 9 O 1S -0.06358 0.05374 0.05374 -0.05374 0.00000 168 2S -0.22127 0.18474 0.18474 -0.18474 0.00000 169 3S 1.61356 -1.29661 -1.29661 1.29661 0.00000 170 4S -2.79883 2.05502 2.05502 -2.05502 0.00000 171 5S 3.47591 -2.25695 -2.25695 2.25695 0.00000 172 6PX 0.00601 -0.06708 -0.11856 0.11856 -0.13695 173 6PY 0.00601 -0.11856 -0.06708 0.11856 0.13695 174 6PZ -0.00601 0.11856 0.11856 -0.06708 0.00000 175 7PX 0.03207 -0.01137 0.09982 -0.09982 0.29979 176 7PY 0.03207 0.09982 -0.01137 -0.09982 -0.29979 177 7PZ -0.03207 -0.09982 -0.09982 -0.01137 0.00000 178 8PX 0.39451 -0.25931 -0.31103 0.31103 -0.10126 179 8PY 0.39451 -0.31103 -0.25931 0.31103 0.10126 180 8PZ -0.39451 0.31103 0.31103 -0.25931 0.00000 181 9D 0 0.00000 0.05996 0.05996 0.11993 0.00000 182 9D+1 -0.10585 0.11672 0.03367 -0.11672 -0.21266 183 9D-1 -0.10585 0.03367 0.11672 -0.11672 0.21266 184 9D+2 0.00000 -0.10386 0.10386 0.00000 0.42601 185 9D-2 0.10585 -0.11672 -0.11672 0.03367 0.00000 161 162 163 164 165 (T1)--V (T1)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 3.22277 3.22277 3.25793 3.25793 3.25793 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 0.01883 8 7PY 0.00000 0.00000 0.01883 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.01883 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 -0.07545 11 8PY 0.00000 0.00000 -0.07545 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.07545 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.10962 14 9PY 0.00000 0.00000 0.10962 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.10962 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.20075 17 10PY 0.00000 0.00000 0.20075 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.20075 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.07011 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 -0.07011 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.07011 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00660 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00660 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00660 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.32923 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.32923 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.32923 0.00000 34 2 C 1S 0.00000 0.00000 0.00009 0.00009 0.00009 35 2S 0.00000 0.00000 -0.00497 -0.00497 -0.00497 36 3S 0.00000 0.00000 0.12329 0.12329 0.12329 37 4S 0.00000 0.00000 -0.40035 -0.40035 -0.40035 38 5S 0.00000 0.00000 -0.17927 -0.17927 -0.17927 39 6PX -0.01041 0.00000 0.00658 0.00658 -0.02259 40 6PY 0.00000 -0.01041 -0.02259 0.00658 0.00658 41 6PZ 0.01041 0.01041 0.00658 -0.02259 0.00658 42 7PX -0.17889 0.00000 0.14315 0.14315 -0.11787 43 7PY 0.00000 -0.17889 -0.11787 0.14315 0.14315 44 7PZ 0.17889 0.17889 0.14315 -0.11787 0.14315 45 8PX 0.14389 0.00000 -0.13147 -0.13147 -0.01619 46 8PY 0.00000 0.14389 -0.01619 -0.13147 -0.13147 47 8PZ -0.14389 -0.14389 -0.13147 -0.01619 -0.13147 48 9D 0 0.26735 0.26735 0.16051 -0.32103 0.16051 49 9D+1 0.00000 0.15828 0.10444 -0.15314 -0.15314 50 9D-1 0.15828 0.00000 -0.15314 -0.15314 0.10444 51 9D+2 -0.15436 0.15436 0.27802 0.00000 -0.27802 52 9D-2 -0.15828 -0.15828 -0.15314 0.10444 -0.15314 53 3 C 1S 0.00000 0.00000 -0.00009 0.00009 -0.00009 54 2S 0.00000 0.00000 0.00497 -0.00497 0.00497 55 3S 0.00000 0.00000 -0.12329 0.12329 -0.12329 56 4S 0.00000 0.00000 0.40035 -0.40035 0.40035 57 5S 0.00000 0.00000 0.17927 -0.17927 0.17927 58 6PX -0.01041 0.00000 0.00658 -0.00658 -0.02259 59 6PY 0.00000 -0.01041 -0.02259 -0.00658 0.00658 60 6PZ -0.01041 -0.01041 -0.00658 -0.02259 -0.00658 61 7PX -0.17889 0.00000 0.14315 -0.14315 -0.11787 62 7PY 0.00000 -0.17889 -0.11787 -0.14315 0.14315 63 7PZ -0.17889 -0.17889 -0.14315 -0.11787 -0.14315 64 8PX 0.14389 0.00000 -0.13147 0.13147 -0.01619 65 8PY 0.00000 0.14389 -0.01619 0.13147 -0.13147 66 8PZ 0.14389 0.14389 0.13147 -0.01619 0.13147 67 9D 0 -0.26735 -0.26735 -0.16051 -0.32103 -0.16051 68 9D+1 0.00000 0.15828 0.10444 0.15314 -0.15314 69 9D-1 0.15828 0.00000 -0.15314 0.15314 0.10444 70 9D+2 0.15436 -0.15436 -0.27802 0.00000 0.27802 71 9D-2 0.15828 0.15828 0.15314 0.10444 0.15314 72 4 C 1S 0.00000 0.00000 0.00009 -0.00009 -0.00009 73 2S 0.00000 0.00000 -0.00497 0.00497 0.00497 74 3S 0.00000 0.00000 0.12329 -0.12329 -0.12329 75 4S 0.00000 0.00000 -0.40035 0.40035 0.40035 76 5S 0.00000 0.00000 -0.17927 0.17927 0.17927 77 6PX 0.01041 0.00000 -0.00658 0.00658 -0.02259 78 6PY 0.00000 0.01041 -0.02259 -0.00658 -0.00658 79 6PZ -0.01041 0.01041 -0.00658 -0.02259 0.00658 80 7PX 0.17889 0.00000 -0.14315 0.14315 -0.11787 81 7PY 0.00000 0.17889 -0.11787 -0.14315 -0.14315 82 7PZ -0.17889 0.17889 -0.14315 -0.11787 0.14315 83 8PX -0.14389 0.00000 0.13147 -0.13147 -0.01619 84 8PY 0.00000 -0.14389 -0.01619 0.13147 0.13147 85 8PZ 0.14389 -0.14389 0.13147 -0.01619 -0.13147 86 9D 0 0.26735 -0.26735 0.16051 0.32103 -0.16051 87 9D+1 0.00000 -0.15828 0.10444 0.15314 0.15314 88 9D-1 -0.15828 0.00000 0.15314 -0.15314 0.10444 89 9D+2 -0.15436 -0.15436 0.27802 0.00000 0.27802 90 9D-2 0.15828 -0.15828 0.15314 0.10444 -0.15314 91 5 C 1S 0.00000 0.00000 -0.00009 -0.00009 0.00009 92 2S 0.00000 0.00000 0.00497 0.00497 -0.00497 93 3S 0.00000 0.00000 -0.12329 -0.12329 0.12329 94 4S 0.00000 0.00000 0.40035 0.40035 -0.40035 95 5S 0.00000 0.00000 0.17927 0.17927 -0.17927 96 6PX 0.01041 0.00000 -0.00658 -0.00658 -0.02259 97 6PY 0.00000 0.01041 -0.02259 0.00658 -0.00658 98 6PZ 0.01041 -0.01041 0.00658 -0.02259 -0.00658 99 7PX 0.17889 0.00000 -0.14315 -0.14315 -0.11787 100 7PY 0.00000 0.17889 -0.11787 0.14315 -0.14315 101 7PZ 0.17889 -0.17889 0.14315 -0.11787 -0.14315 102 8PX -0.14389 0.00000 0.13147 0.13147 -0.01619 103 8PY 0.00000 -0.14389 -0.01619 -0.13147 0.13147 104 8PZ -0.14389 0.14389 -0.13147 -0.01619 0.13147 105 9D 0 -0.26735 0.26735 -0.16051 0.32103 0.16051 106 9D+1 0.00000 -0.15828 0.10444 -0.15314 0.15314 107 9D-1 -0.15828 0.00000 0.15314 0.15314 0.10444 108 9D+2 0.15436 0.15436 -0.27802 0.00000 -0.27802 109 9D-2 -0.15828 0.15828 -0.15314 0.10444 0.15314 110 6 O 1S 0.00000 0.00000 -0.01478 -0.01478 -0.01478 111 2S 0.00000 0.00000 -0.05071 -0.05071 -0.05071 112 3S 0.00000 0.00000 0.35803 0.35803 0.35803 113 4S 0.00000 0.00000 -0.56959 -0.56959 -0.56959 114 5S 0.00000 0.00000 0.62895 0.62895 0.62895 115 6PX -0.13695 0.00000 0.03501 0.03501 -0.17793 116 6PY 0.00000 -0.13695 -0.17793 0.03501 0.03501 117 6PZ 0.13695 0.13695 0.03501 -0.17793 0.03501 118 7PX 0.29979 0.00000 -0.13276 -0.13276 0.34209 119 7PY 0.00000 0.29979 0.34209 -0.13276 -0.13276 120 7PZ -0.29979 -0.29979 -0.13276 0.34209 -0.13276 121 8PX -0.10126 0.00000 -0.04489 -0.04489 -0.16138 122 8PY 0.00000 -0.10126 -0.16138 -0.04489 -0.04489 123 8PZ 0.10126 0.10126 -0.04489 -0.16138 -0.04489 124 9D 0 0.36894 0.36894 0.20230 -0.40460 0.20230 125 9D+1 0.00000 0.21266 0.25941 -0.10024 -0.10024 126 9D-1 0.21266 0.00000 -0.10024 -0.10024 0.25941 127 9D+2 -0.21301 0.21301 0.35040 0.00000 -0.35040 128 9D-2 -0.21266 -0.21266 -0.10024 0.25941 -0.10024 129 7 O 1S 0.00000 0.00000 -0.01478 0.01478 0.01478 130 2S 0.00000 0.00000 -0.05071 0.05071 0.05071 131 3S 0.00000 0.00000 0.35803 -0.35803 -0.35803 132 4S 0.00000 0.00000 -0.56959 0.56959 0.56959 133 5S 0.00000 0.00000 0.62895 -0.62895 -0.62895 134 6PX 0.13695 0.00000 -0.03501 0.03501 -0.17793 135 6PY 0.00000 0.13695 -0.17793 -0.03501 -0.03501 136 6PZ -0.13695 0.13695 -0.03501 -0.17793 0.03501 137 7PX -0.29979 0.00000 0.13276 -0.13276 0.34209 138 7PY 0.00000 -0.29979 0.34209 0.13276 0.13276 139 7PZ 0.29979 -0.29979 0.13276 0.34209 -0.13276 140 8PX 0.10126 0.00000 0.04489 -0.04489 -0.16138 141 8PY 0.00000 0.10126 -0.16138 0.04489 0.04489 142 8PZ -0.10126 0.10126 0.04489 -0.16138 -0.04489 143 9D 0 0.36894 -0.36894 0.20230 0.40460 -0.20230 144 9D+1 0.00000 -0.21266 0.25941 0.10024 0.10024 145 9D-1 -0.21266 0.00000 0.10024 -0.10024 0.25941 146 9D+2 -0.21301 -0.21301 0.35040 0.00000 0.35040 147 9D-2 0.21266 -0.21266 0.10024 0.25941 -0.10024 148 8 O 1S 0.00000 0.00000 0.01478 0.01478 -0.01478 149 2S 0.00000 0.00000 0.05071 0.05071 -0.05071 150 3S 0.00000 0.00000 -0.35803 -0.35803 0.35803 151 4S 0.00000 0.00000 0.56959 0.56959 -0.56959 152 5S 0.00000 0.00000 -0.62895 -0.62895 0.62895 153 6PX 0.13695 0.00000 -0.03501 -0.03501 -0.17793 154 6PY 0.00000 0.13695 -0.17793 0.03501 -0.03501 155 6PZ 0.13695 -0.13695 0.03501 -0.17793 -0.03501 156 7PX -0.29979 0.00000 0.13276 0.13276 0.34209 157 7PY 0.00000 -0.29979 0.34209 -0.13276 0.13276 158 7PZ -0.29979 0.29979 -0.13276 0.34209 0.13276 159 8PX 0.10126 0.00000 0.04489 0.04489 -0.16138 160 8PY 0.00000 0.10126 -0.16138 -0.04489 0.04489 161 8PZ 0.10126 -0.10126 -0.04489 -0.16138 0.04489 162 9D 0 -0.36894 0.36894 -0.20230 0.40460 0.20230 163 9D+1 0.00000 -0.21266 0.25941 -0.10024 0.10024 164 9D-1 -0.21266 0.00000 0.10024 0.10024 0.25941 165 9D+2 0.21301 0.21301 -0.35040 0.00000 -0.35040 166 9D-2 -0.21266 0.21266 -0.10024 0.25941 0.10024 167 9 O 1S 0.00000 0.00000 0.01478 -0.01478 0.01478 168 2S 0.00000 0.00000 0.05071 -0.05071 0.05071 169 3S 0.00000 0.00000 -0.35803 0.35803 -0.35803 170 4S 0.00000 0.00000 0.56959 -0.56959 0.56959 171 5S 0.00000 0.00000 -0.62895 0.62895 -0.62895 172 6PX -0.13695 0.00000 0.03501 -0.03501 -0.17793 173 6PY 0.00000 -0.13695 -0.17793 -0.03501 0.03501 174 6PZ -0.13695 -0.13695 -0.03501 -0.17793 -0.03501 175 7PX 0.29979 0.00000 -0.13276 0.13276 0.34209 176 7PY 0.00000 0.29979 0.34209 0.13276 -0.13276 177 7PZ 0.29979 0.29979 0.13276 0.34209 0.13276 178 8PX -0.10126 0.00000 -0.04489 0.04489 -0.16138 179 8PY 0.00000 -0.10126 -0.16138 0.04489 -0.04489 180 8PZ -0.10126 -0.10126 0.04489 -0.16138 0.04489 181 9D 0 -0.36894 -0.36894 -0.20230 -0.40460 -0.20230 182 9D+1 0.00000 0.21266 0.25941 0.10024 -0.10024 183 9D-1 0.21266 0.00000 -0.10024 0.10024 0.25941 184 9D+2 0.21301 -0.21301 -0.35040 0.00000 0.35040 185 9D-2 0.21266 0.21266 0.10024 0.25941 0.10024 166 167 168 169 170 (E)--V (E)--V (A1)--V (T2)--V (T2)--V Eigenvalues -- 3.28554 3.28554 3.61436 4.11943 4.11943 1 1 Ni 1S 0.00000 0.00000 0.16059 0.00000 0.00000 2 2S 0.00000 0.00000 0.15191 0.00000 0.00000 3 3S 0.00000 0.00000 2.43799 0.00000 0.00000 4 4S 0.00000 0.00000 -3.46759 0.00000 0.00000 5 5S 0.00000 0.00000 4.74823 0.00000 0.00000 6 6S 0.00000 0.00000 0.56450 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00174 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00174 10 8PX 0.00000 0.00000 0.00000 0.00191 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00191 13 9PX 0.00000 0.00000 0.00000 -0.09099 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.09099 16 10PX 0.00000 0.00000 0.00000 0.29806 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.29806 19 11D 0 -0.02118 -0.13517 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.56564 0.00000 22 11D+2 -0.13517 0.02118 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.56564 24 12D 0 0.01520 0.09697 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 -0.91704 0.00000 27 12D+2 0.09697 -0.01520 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 -0.91704 29 13D 0 0.02655 0.16943 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.70704 0.00000 32 13D+2 0.16943 -0.02655 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.70704 34 2 C 1S 0.00000 0.00000 0.00883 0.02688 0.02688 35 2S 0.00000 0.00000 0.02956 0.08884 0.08884 36 3S 0.00000 0.00000 -0.13188 -0.46004 -0.46004 37 4S 0.00000 0.00000 -0.06992 -0.82646 -0.82646 38 5S 0.00000 0.00000 -0.57703 0.05420 0.05420 39 6PX 0.02921 -0.02357 -0.10845 -0.21083 -0.22078 40 6PY -0.03502 -0.01351 -0.10845 -0.22078 -0.22078 41 6PZ 0.00581 0.03708 -0.10845 -0.22078 -0.21083 42 7PX 0.10157 -0.08198 0.25134 -0.31953 -0.31344 43 7PY -0.12178 -0.04698 0.25134 -0.31344 -0.31344 44 7PZ 0.02021 0.12896 0.25134 -0.31344 -0.31953 45 8PX -0.06589 0.05318 0.48871 0.06856 0.04027 46 8PY 0.07900 0.03047 0.48871 0.04027 0.04027 47 8PZ -0.01311 -0.08365 0.48871 0.04027 0.06856 48 9D 0 0.05275 0.33656 0.00000 0.02956 -0.05913 49 9D+1 0.18763 0.07237 -0.04624 -0.24803 -0.24803 50 9D-1 -0.15649 0.12630 -0.04624 -0.24036 -0.24803 51 9D+2 0.33656 -0.05275 0.00000 -0.05121 0.00000 52 9D-2 -0.03114 -0.19868 -0.04624 -0.24803 -0.24036 53 3 C 1S 0.00000 0.00000 0.00883 -0.02688 0.02688 54 2S 0.00000 0.00000 0.02956 -0.08884 0.08884 55 3S 0.00000 0.00000 -0.13188 0.46004 -0.46004 56 4S 0.00000 0.00000 -0.06992 0.82646 -0.82646 57 5S 0.00000 0.00000 -0.57703 -0.05420 0.05420 58 6PX -0.02921 0.02357 0.10845 -0.21083 0.22078 59 6PY 0.03502 0.01351 0.10845 -0.22078 0.22078 60 6PZ 0.00581 0.03708 -0.10845 0.22078 -0.21083 61 7PX -0.10157 0.08198 -0.25134 -0.31953 0.31344 62 7PY 0.12178 0.04698 -0.25134 -0.31344 0.31344 63 7PZ 0.02021 0.12896 0.25134 0.31344 -0.31953 64 8PX 0.06589 -0.05318 -0.48871 0.06856 -0.04027 65 8PY -0.07900 -0.03047 -0.48871 0.04027 -0.04027 66 8PZ -0.01311 -0.08365 0.48871 -0.04027 0.06856 67 9D 0 0.05275 0.33656 0.00000 -0.02956 -0.05913 68 9D+1 -0.18763 -0.07237 0.04624 -0.24803 0.24803 69 9D-1 0.15649 -0.12630 0.04624 -0.24036 0.24803 70 9D+2 0.33656 -0.05275 0.00000 0.05121 0.00000 71 9D-2 -0.03114 -0.19868 -0.04624 0.24803 -0.24036 72 4 C 1S 0.00000 0.00000 0.00883 -0.02688 -0.02688 73 2S 0.00000 0.00000 0.02956 -0.08884 -0.08884 74 3S 0.00000 0.00000 -0.13188 0.46004 0.46004 75 4S 0.00000 0.00000 -0.06992 0.82646 0.82646 76 5S 0.00000 0.00000 -0.57703 -0.05420 -0.05420 77 6PX -0.02921 0.02357 0.10845 -0.21083 -0.22078 78 6PY -0.03502 -0.01351 -0.10845 0.22078 0.22078 79 6PZ -0.00581 -0.03708 0.10845 -0.22078 -0.21083 80 7PX -0.10157 0.08198 -0.25134 -0.31953 -0.31344 81 7PY -0.12178 -0.04698 0.25134 0.31344 0.31344 82 7PZ -0.02021 -0.12896 -0.25134 -0.31344 -0.31953 83 8PX 0.06589 -0.05318 -0.48871 0.06856 0.04027 84 8PY 0.07900 0.03047 0.48871 -0.04027 -0.04027 85 8PZ 0.01311 0.08365 -0.48871 0.04027 0.06856 86 9D 0 0.05275 0.33656 0.00000 -0.02956 0.05913 87 9D+1 0.18763 0.07237 -0.04624 0.24803 0.24803 88 9D-1 0.15649 -0.12630 0.04624 -0.24036 -0.24803 89 9D+2 0.33656 -0.05275 0.00000 0.05121 0.00000 90 9D-2 0.03114 0.19868 0.04624 -0.24803 -0.24036 91 5 C 1S 0.00000 0.00000 0.00883 0.02688 -0.02688 92 2S 0.00000 0.00000 0.02956 0.08884 -0.08884 93 3S 0.00000 0.00000 -0.13188 -0.46004 0.46004 94 4S 0.00000 0.00000 -0.06992 -0.82646 0.82646 95 5S 0.00000 0.00000 -0.57703 0.05420 -0.05420 96 6PX 0.02921 -0.02357 -0.10845 -0.21083 0.22078 97 6PY 0.03502 0.01351 0.10845 0.22078 -0.22078 98 6PZ -0.00581 -0.03708 0.10845 0.22078 -0.21083 99 7PX 0.10157 -0.08198 0.25134 -0.31953 0.31344 100 7PY 0.12178 0.04698 -0.25134 0.31344 -0.31344 101 7PZ -0.02021 -0.12896 -0.25134 0.31344 -0.31953 102 8PX -0.06589 0.05318 0.48871 0.06856 -0.04027 103 8PY -0.07900 -0.03047 -0.48871 -0.04027 0.04027 104 8PZ 0.01311 0.08365 -0.48871 -0.04027 0.06856 105 9D 0 0.05275 0.33656 0.00000 0.02956 0.05913 106 9D+1 -0.18763 -0.07237 0.04624 0.24803 -0.24803 107 9D-1 -0.15649 0.12630 -0.04624 -0.24036 0.24803 108 9D+2 0.33656 -0.05275 0.00000 -0.05121 0.00000 109 9D-2 0.03114 0.19868 0.04624 0.24803 -0.24036 110 6 O 1S 0.00000 0.00000 0.00900 0.01212 0.01212 111 2S 0.00000 0.00000 0.03185 0.04802 0.04802 112 3S 0.00000 0.00000 -0.27463 -0.57543 -0.57543 113 4S 0.00000 0.00000 0.46640 1.37179 1.37179 114 5S 0.00000 0.00000 -0.77848 0.09434 0.09434 115 6PX 0.11219 -0.09055 0.00573 0.09298 0.10897 116 6PY -0.13451 -0.05189 0.00573 0.10897 0.10897 117 6PZ 0.02232 0.14244 0.00573 0.10897 0.09298 118 7PX -0.25509 0.20588 -0.02631 -0.52306 -0.57216 119 7PY 0.30584 0.11797 -0.02631 -0.57216 -0.57216 120 7PZ -0.05075 -0.32385 -0.02631 -0.57216 -0.52306 121 8PX 0.07430 -0.05997 -0.02105 -0.04638 -0.00986 122 8PY -0.08909 -0.03436 -0.02105 -0.00986 -0.00986 123 8PZ 0.01478 0.09433 -0.02105 -0.00986 -0.04638 124 9D 0 0.06462 0.41229 0.00000 0.00899 -0.01797 125 9D+1 0.22165 0.08550 0.12017 0.30597 0.30597 126 9D-1 -0.18487 0.14921 0.12017 0.33281 0.30597 127 9D+2 0.41229 -0.06462 0.00000 -0.01557 0.00000 128 9D-2 -0.03678 -0.23471 0.12017 0.30597 0.33281 129 7 O 1S 0.00000 0.00000 0.00900 -0.01212 -0.01212 130 2S 0.00000 0.00000 0.03185 -0.04802 -0.04802 131 3S 0.00000 0.00000 -0.27463 0.57543 0.57543 132 4S 0.00000 0.00000 0.46640 -1.37179 -1.37179 133 5S 0.00000 0.00000 -0.77848 -0.09434 -0.09434 134 6PX -0.11219 0.09055 -0.00573 0.09298 0.10897 135 6PY -0.13451 -0.05189 0.00573 -0.10897 -0.10897 136 6PZ -0.02232 -0.14244 -0.00573 0.10897 0.09298 137 7PX 0.25509 -0.20588 0.02631 -0.52306 -0.57216 138 7PY 0.30584 0.11797 -0.02631 0.57216 0.57216 139 7PZ 0.05075 0.32385 0.02631 -0.57216 -0.52306 140 8PX -0.07430 0.05997 0.02105 -0.04638 -0.00986 141 8PY -0.08909 -0.03436 -0.02105 0.00986 0.00986 142 8PZ -0.01478 -0.09433 0.02105 -0.00986 -0.04638 143 9D 0 0.06462 0.41229 0.00000 -0.00899 0.01797 144 9D+1 0.22165 0.08550 0.12017 -0.30597 -0.30597 145 9D-1 0.18487 -0.14921 -0.12017 0.33281 0.30597 146 9D+2 0.41229 -0.06462 0.00000 0.01557 0.00000 147 9D-2 0.03678 0.23471 -0.12017 0.30597 0.33281 148 8 O 1S 0.00000 0.00000 0.00900 0.01212 -0.01212 149 2S 0.00000 0.00000 0.03185 0.04802 -0.04802 150 3S 0.00000 0.00000 -0.27463 -0.57543 0.57543 151 4S 0.00000 0.00000 0.46640 1.37179 -1.37179 152 5S 0.00000 0.00000 -0.77848 0.09434 -0.09434 153 6PX 0.11219 -0.09055 0.00573 0.09298 -0.10897 154 6PY 0.13451 0.05189 -0.00573 -0.10897 0.10897 155 6PZ -0.02232 -0.14244 -0.00573 -0.10897 0.09298 156 7PX -0.25509 0.20588 -0.02631 -0.52306 0.57216 157 7PY -0.30584 -0.11797 0.02631 0.57216 -0.57216 158 7PZ 0.05075 0.32385 0.02631 0.57216 -0.52306 159 8PX 0.07430 -0.05997 -0.02105 -0.04638 0.00986 160 8PY 0.08909 0.03436 0.02105 0.00986 -0.00986 161 8PZ -0.01478 -0.09433 0.02105 0.00986 -0.04638 162 9D 0 0.06462 0.41229 0.00000 0.00899 0.01797 163 9D+1 -0.22165 -0.08550 -0.12017 -0.30597 0.30597 164 9D-1 -0.18487 0.14921 0.12017 0.33281 -0.30597 165 9D+2 0.41229 -0.06462 0.00000 -0.01557 0.00000 166 9D-2 0.03678 0.23471 -0.12017 -0.30597 0.33281 167 9 O 1S 0.00000 0.00000 0.00900 -0.01212 0.01212 168 2S 0.00000 0.00000 0.03185 -0.04802 0.04802 169 3S 0.00000 0.00000 -0.27463 0.57543 -0.57543 170 4S 0.00000 0.00000 0.46640 -1.37179 1.37179 171 5S 0.00000 0.00000 -0.77848 -0.09434 0.09434 172 6PX -0.11219 0.09055 -0.00573 0.09298 -0.10897 173 6PY 0.13451 0.05189 -0.00573 0.10897 -0.10897 174 6PZ 0.02232 0.14244 0.00573 -0.10897 0.09298 175 7PX 0.25509 -0.20588 0.02631 -0.52306 0.57216 176 7PY -0.30584 -0.11797 0.02631 -0.57216 0.57216 177 7PZ -0.05075 -0.32385 -0.02631 0.57216 -0.52306 178 8PX -0.07430 0.05997 0.02105 -0.04638 0.00986 179 8PY 0.08909 0.03436 0.02105 -0.00986 0.00986 180 8PZ 0.01478 0.09433 -0.02105 0.00986 -0.04638 181 9D 0 0.06462 0.41229 0.00000 -0.00899 -0.01797 182 9D+1 -0.22165 -0.08550 -0.12017 0.30597 -0.30597 183 9D-1 0.18487 -0.14921 -0.12017 0.33281 -0.30597 184 9D+2 0.41229 -0.06462 0.00000 0.01557 0.00000 185 9D-2 -0.03678 -0.23471 0.12017 -0.30597 0.33281 171 172 173 174 175 (T2)--V (E)--V (E)--V (A1)--V (T2)--V Eigenvalues -- 4.11943 4.20601 4.20601 4.37086 4.55324 1 1 Ni 1S 0.00000 0.00000 0.00000 0.05752 0.00000 2 2S 0.00000 0.00000 0.00000 0.06945 0.00000 3 3S 0.00000 0.00000 0.00000 0.89938 0.00000 4 4S 0.00000 0.00000 0.00000 -1.45496 0.00000 5 5S 0.00000 0.00000 0.00000 3.62382 0.00000 6 6S 0.00000 0.00000 0.00000 0.82330 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00000 -0.02159 8 7PY 0.00174 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.09025 11 8PY 0.00191 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 -0.20096 14 9PY -0.09099 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 2.19326 17 10PY 0.29806 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 -0.62079 -0.70051 0.00000 0.00000 20 11D+1 0.56564 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.75821 22 11D+2 0.00000 -0.70051 0.62079 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.96710 1.09129 0.00000 0.00000 25 12D+1 -0.91704 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 -1.28898 27 12D+2 0.00000 1.09129 -0.96710 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 -0.63139 -0.71247 0.00000 0.00000 30 13D+1 0.70704 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 1.36112 32 13D+2 0.00000 -0.71247 0.63139 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.02688 0.00000 0.00000 -0.03202 -0.01731 35 2S 0.08884 0.00000 0.00000 -0.10398 -0.05451 36 3S -0.46004 0.00000 0.00000 0.59930 0.31436 37 4S -0.82646 0.00000 0.00000 0.97791 0.60412 38 5S 0.05420 0.00000 0.00000 -0.85381 -0.77721 39 6PX -0.22078 -0.00976 0.02926 0.24335 0.19498 40 6PY -0.21083 0.03022 -0.00617 0.24335 0.16789 41 6PZ -0.22078 -0.02046 -0.02308 0.24335 0.16789 42 7PX -0.31344 0.03674 -0.11012 0.89117 0.67465 43 7PY -0.31953 -0.11374 0.02324 0.89117 0.77367 44 7PZ -0.31344 0.07699 0.08688 0.89117 0.77367 45 8PX 0.04027 0.01721 -0.05157 0.24625 0.40632 46 8PY 0.06856 -0.05326 0.01088 0.24625 0.39325 47 8PZ 0.04027 0.03606 0.04069 0.24625 0.39325 48 9D 0 0.02956 -0.07491 -0.08453 0.00000 0.02019 49 9D+1 -0.24036 -0.09005 0.01840 0.32043 0.20714 50 9D-1 -0.24803 0.02909 -0.08719 0.32043 0.21111 51 9D+2 0.05121 -0.08453 0.07491 0.00000 -0.03496 52 9D-2 -0.24803 0.06096 0.06879 0.32043 0.20714 53 3 C 1S -0.02688 0.00000 0.00000 -0.03202 0.01731 54 2S -0.08884 0.00000 0.00000 -0.10398 0.05451 55 3S 0.46004 0.00000 0.00000 0.59930 -0.31436 56 4S 0.82646 0.00000 0.00000 0.97791 -0.60412 57 5S -0.05420 0.00000 0.00000 -0.85381 0.77721 58 6PX -0.22078 0.00976 -0.02926 -0.24335 0.19498 59 6PY -0.21083 -0.03022 0.00617 -0.24335 0.16789 60 6PZ 0.22078 -0.02046 -0.02308 0.24335 -0.16789 61 7PX -0.31344 -0.03674 0.11012 -0.89117 0.67465 62 7PY -0.31953 0.11374 -0.02324 -0.89117 0.77367 63 7PZ 0.31344 0.07699 0.08688 0.89117 -0.77367 64 8PX 0.04027 -0.01721 0.05157 -0.24625 0.40632 65 8PY 0.06856 0.05326 -0.01088 -0.24625 0.39325 66 8PZ -0.04027 0.03606 0.04069 0.24625 -0.39325 67 9D 0 -0.02956 -0.07491 -0.08453 0.00000 -0.02019 68 9D+1 -0.24036 0.09005 -0.01840 -0.32043 0.20714 69 9D-1 -0.24803 -0.02909 0.08719 -0.32043 0.21111 70 9D+2 -0.05121 -0.08453 0.07491 0.00000 0.03496 71 9D-2 0.24803 0.06096 0.06879 0.32043 -0.20714 72 4 C 1S 0.02688 0.00000 0.00000 -0.03202 0.01731 73 2S 0.08884 0.00000 0.00000 -0.10398 0.05451 74 3S -0.46004 0.00000 0.00000 0.59930 -0.31436 75 4S -0.82646 0.00000 0.00000 0.97791 -0.60412 76 5S 0.05420 0.00000 0.00000 -0.85381 0.77721 77 6PX 0.22078 0.00976 -0.02926 -0.24335 0.19498 78 6PY -0.21083 0.03022 -0.00617 0.24335 -0.16789 79 6PZ 0.22078 0.02046 0.02308 -0.24335 0.16789 80 7PX 0.31344 -0.03674 0.11012 -0.89117 0.67465 81 7PY -0.31953 -0.11374 0.02324 0.89117 -0.77367 82 7PZ 0.31344 -0.07699 -0.08688 -0.89117 0.77367 83 8PX -0.04027 -0.01721 0.05157 -0.24625 0.40632 84 8PY 0.06856 -0.05326 0.01088 0.24625 -0.39325 85 8PZ -0.04027 -0.03606 -0.04069 -0.24625 0.39325 86 9D 0 0.02956 -0.07491 -0.08453 0.00000 -0.02019 87 9D+1 -0.24036 -0.09005 0.01840 0.32043 -0.20714 88 9D-1 0.24803 -0.02909 0.08719 -0.32043 0.21111 89 9D+2 0.05121 -0.08453 0.07491 0.00000 0.03496 90 9D-2 0.24803 -0.06096 -0.06879 -0.32043 0.20714 91 5 C 1S -0.02688 0.00000 0.00000 -0.03202 -0.01731 92 2S -0.08884 0.00000 0.00000 -0.10398 -0.05451 93 3S 0.46004 0.00000 0.00000 0.59930 0.31436 94 4S 0.82646 0.00000 0.00000 0.97791 0.60412 95 5S -0.05420 0.00000 0.00000 -0.85381 -0.77721 96 6PX 0.22078 -0.00976 0.02926 0.24335 0.19498 97 6PY -0.21083 -0.03022 0.00617 -0.24335 -0.16789 98 6PZ -0.22078 0.02046 0.02308 -0.24335 -0.16789 99 7PX 0.31344 0.03674 -0.11012 0.89117 0.67465 100 7PY -0.31953 0.11374 -0.02324 -0.89117 -0.77367 101 7PZ -0.31344 -0.07699 -0.08688 -0.89117 -0.77367 102 8PX -0.04027 0.01721 -0.05157 0.24625 0.40632 103 8PY 0.06856 0.05326 -0.01088 -0.24625 -0.39325 104 8PZ 0.04027 -0.03606 -0.04069 -0.24625 -0.39325 105 9D 0 -0.02956 -0.07491 -0.08453 0.00000 0.02019 106 9D+1 -0.24036 0.09005 -0.01840 -0.32043 -0.20714 107 9D-1 0.24803 0.02909 -0.08719 0.32043 0.21111 108 9D+2 -0.05121 -0.08453 0.07491 0.00000 -0.03496 109 9D-2 -0.24803 -0.06096 -0.06879 -0.32043 -0.20714 110 6 O 1S 0.01212 0.00000 0.00000 -0.01614 -0.00911 111 2S 0.04802 0.00000 0.00000 -0.06439 -0.03777 112 3S -0.57543 0.00000 0.00000 0.80674 0.50632 113 4S 1.37179 0.00000 0.00000 -2.09111 -1.38447 114 5S 0.09434 0.00000 0.00000 -0.45666 -0.57210 115 6PX 0.10897 -0.00521 0.01561 -0.14973 -0.10616 116 6PY 0.09298 0.01612 -0.00329 -0.14973 -0.09489 117 6PZ 0.10897 -0.01091 -0.01231 -0.14973 -0.09489 118 7PX -0.57216 0.02023 -0.06062 0.84547 0.61304 119 7PY -0.52306 -0.06261 0.01279 0.84547 0.57479 120 7PZ -0.57216 0.04238 0.04783 0.84547 0.57479 121 8PX -0.00986 -0.02757 0.08264 0.00558 -0.00314 122 8PY -0.04638 0.08535 -0.01744 0.00558 -0.00785 123 8PZ -0.00986 -0.05778 -0.06520 0.00558 -0.00785 124 9D 0 0.00899 -0.03183 -0.03591 0.00000 0.00994 125 9D+1 0.33281 -0.02024 0.00414 -0.37518 -0.24462 126 9D-1 0.30597 0.00654 -0.01960 -0.37518 -0.21645 127 9D+2 0.01557 -0.03591 0.03183 0.00000 -0.01721 128 9D-2 0.30597 0.01370 0.01546 -0.37518 -0.24462 129 7 O 1S 0.01212 0.00000 0.00000 -0.01614 0.00911 130 2S 0.04802 0.00000 0.00000 -0.06439 0.03777 131 3S -0.57543 0.00000 0.00000 0.80674 -0.50632 132 4S 1.37179 0.00000 0.00000 -2.09111 1.38447 133 5S 0.09434 0.00000 0.00000 -0.45666 0.57210 134 6PX -0.10897 0.00521 -0.01561 0.14973 -0.10616 135 6PY 0.09298 0.01612 -0.00329 -0.14973 0.09489 136 6PZ -0.10897 0.01091 0.01231 0.14973 -0.09489 137 7PX 0.57216 -0.02023 0.06062 -0.84547 0.61304 138 7PY -0.52306 -0.06261 0.01279 0.84547 -0.57479 139 7PZ 0.57216 -0.04238 -0.04783 -0.84547 0.57479 140 8PX 0.00986 0.02757 -0.08264 -0.00558 -0.00314 141 8PY -0.04638 0.08535 -0.01744 0.00558 0.00785 142 8PZ 0.00986 0.05778 0.06520 -0.00558 -0.00785 143 9D 0 0.00899 -0.03183 -0.03591 0.00000 -0.00994 144 9D+1 0.33281 -0.02024 0.00414 -0.37518 0.24462 145 9D-1 -0.30597 -0.00654 0.01960 0.37518 -0.21645 146 9D+2 0.01557 -0.03591 0.03183 0.00000 0.01721 147 9D-2 -0.30597 -0.01370 -0.01546 0.37518 -0.24462 148 8 O 1S -0.01212 0.00000 0.00000 -0.01614 -0.00911 149 2S -0.04802 0.00000 0.00000 -0.06439 -0.03777 150 3S 0.57543 0.00000 0.00000 0.80674 0.50632 151 4S -1.37179 0.00000 0.00000 -2.09111 -1.38447 152 5S -0.09434 0.00000 0.00000 -0.45666 -0.57210 153 6PX -0.10897 -0.00521 0.01561 -0.14973 -0.10616 154 6PY 0.09298 -0.01612 0.00329 0.14973 0.09489 155 6PZ 0.10897 0.01091 0.01231 0.14973 0.09489 156 7PX 0.57216 0.02023 -0.06062 0.84547 0.61304 157 7PY -0.52306 0.06261 -0.01279 -0.84547 -0.57479 158 7PZ -0.57216 -0.04238 -0.04783 -0.84547 -0.57479 159 8PX 0.00986 -0.02757 0.08264 0.00558 -0.00314 160 8PY -0.04638 -0.08535 0.01744 -0.00558 0.00785 161 8PZ -0.00986 0.05778 0.06520 -0.00558 0.00785 162 9D 0 -0.00899 -0.03183 -0.03591 0.00000 0.00994 163 9D+1 0.33281 0.02024 -0.00414 0.37518 0.24462 164 9D-1 -0.30597 0.00654 -0.01960 -0.37518 -0.21645 165 9D+2 -0.01557 -0.03591 0.03183 0.00000 -0.01721 166 9D-2 0.30597 -0.01370 -0.01546 0.37518 0.24462 167 9 O 1S -0.01212 0.00000 0.00000 -0.01614 0.00911 168 2S -0.04802 0.00000 0.00000 -0.06439 0.03777 169 3S 0.57543 0.00000 0.00000 0.80674 -0.50632 170 4S -1.37179 0.00000 0.00000 -2.09111 1.38447 171 5S -0.09434 0.00000 0.00000 -0.45666 0.57210 172 6PX 0.10897 0.00521 -0.01561 0.14973 -0.10616 173 6PY 0.09298 -0.01612 0.00329 0.14973 -0.09489 174 6PZ -0.10897 -0.01091 -0.01231 -0.14973 0.09489 175 7PX -0.57216 -0.02023 0.06062 -0.84547 0.61304 176 7PY -0.52306 0.06261 -0.01279 -0.84547 0.57479 177 7PZ 0.57216 0.04238 0.04783 0.84547 -0.57479 178 8PX -0.00986 0.02757 -0.08264 -0.00558 -0.00314 179 8PY -0.04638 -0.08535 0.01744 -0.00558 -0.00785 180 8PZ 0.00986 -0.05778 -0.06520 0.00558 0.00785 181 9D 0 -0.00899 -0.03183 -0.03591 0.00000 -0.00994 182 9D+1 0.33281 0.02024 -0.00414 0.37518 -0.24462 183 9D-1 0.30597 -0.00654 0.01960 0.37518 -0.21645 184 9D+2 -0.01557 -0.03591 0.03183 0.00000 0.01721 185 9D-2 -0.30597 0.01370 0.01546 -0.37518 0.24462 176 177 178 179 180 (T2)--V (T2)--V (T2)--V (T2)--V (T2)--V Eigenvalues -- 4.55324 4.55324 21.91015 21.91015 21.91015 1 1 Ni 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.00149 0.00000 8 7PY 0.00000 -0.02159 0.00000 0.00000 0.00149 9 7PZ -0.02159 0.00000 0.00149 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -0.01027 0.00000 11 8PY 0.00000 0.09025 0.00000 0.00000 -0.01027 12 8PZ 0.09025 0.00000 -0.01027 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.04016 0.00000 14 9PY 0.00000 -0.20096 0.00000 0.00000 0.04016 15 9PZ -0.20096 0.00000 0.04016 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.18680 0.00000 17 10PY 0.00000 2.19326 0.00000 0.00000 0.18680 18 10PZ 2.19326 0.00000 0.18680 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.75821 0.00000 0.00000 -0.00186 21 11D-1 0.00000 0.00000 0.00000 -0.00186 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.75821 0.00000 -0.00186 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 -1.28898 0.00000 0.00000 0.01499 26 12D-1 0.00000 0.00000 0.00000 0.01499 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 -1.28898 0.00000 0.01499 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 1.36112 0.00000 0.00000 0.07002 31 13D-1 0.00000 0.00000 0.00000 0.07002 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 1.36112 0.00000 0.07002 0.00000 0.00000 34 2 C 1S -0.01731 -0.01731 0.69511 0.69511 0.69511 35 2S -0.05451 -0.05451 -0.87488 -0.87488 -0.87488 36 3S 0.31436 0.31436 0.87798 0.87798 0.87798 37 4S 0.60412 0.60412 -0.84724 -0.84724 -0.84724 38 5S -0.77721 -0.77721 0.33426 0.33426 0.33426 39 6PX 0.16789 0.16789 0.02836 0.03634 0.02836 40 6PY 0.16789 0.19498 0.02836 0.02836 0.03634 41 6PZ 0.19498 0.16789 0.03634 0.02836 0.02836 42 7PX 0.77367 0.77367 0.14969 0.11961 0.14969 43 7PY 0.77367 0.67465 0.14969 0.14969 0.11961 44 7PZ 0.67465 0.77367 0.11961 0.14969 0.14969 45 8PX 0.39325 0.39325 -0.12041 -0.24299 -0.12041 46 8PY 0.39325 0.40632 -0.12041 -0.12041 -0.24299 47 8PZ 0.40632 0.39325 -0.24299 -0.12041 -0.12041 48 9D 0 -0.04037 0.02019 0.00582 -0.00291 -0.00291 49 9D+1 0.20714 0.21111 0.05644 0.05644 0.04279 50 9D-1 0.20714 0.20714 0.05644 0.04279 0.05644 51 9D+2 0.00000 0.03496 0.00000 0.00504 -0.00504 52 9D-2 0.21111 0.20714 0.04279 0.05644 0.05644 53 3 C 1S -0.01731 0.01731 0.69511 -0.69511 -0.69511 54 2S -0.05451 0.05451 -0.87488 0.87488 0.87488 55 3S 0.31436 -0.31436 0.87798 -0.87798 -0.87798 56 4S 0.60412 -0.60412 -0.84724 0.84724 0.84724 57 5S -0.77721 0.77721 0.33426 -0.33426 -0.33426 58 6PX -0.16789 0.16789 -0.02836 0.03634 0.02836 59 6PY -0.16789 0.19498 -0.02836 0.02836 0.03634 60 6PZ 0.19498 -0.16789 0.03634 -0.02836 -0.02836 61 7PX -0.77367 0.77367 -0.14969 0.11961 0.14969 62 7PY -0.77367 0.67465 -0.14969 0.14969 0.11961 63 7PZ 0.67465 -0.77367 0.11961 -0.14969 -0.14969 64 8PX -0.39325 0.39325 0.12041 -0.24299 -0.12041 65 8PY -0.39325 0.40632 0.12041 -0.12041 -0.24299 66 8PZ 0.40632 -0.39325 -0.24299 0.12041 0.12041 67 9D 0 -0.04037 -0.02019 0.00582 0.00291 0.00291 68 9D+1 -0.20714 0.21111 -0.05644 0.05644 0.04279 69 9D-1 -0.20714 0.20714 -0.05644 0.04279 0.05644 70 9D+2 0.00000 -0.03496 0.00000 -0.00504 0.00504 71 9D-2 0.21111 -0.20714 0.04279 -0.05644 -0.05644 72 4 C 1S 0.01731 -0.01731 -0.69511 -0.69511 0.69511 73 2S 0.05451 -0.05451 0.87488 0.87488 -0.87488 74 3S -0.31436 0.31436 -0.87798 -0.87798 0.87798 75 4S -0.60412 0.60412 0.84724 0.84724 -0.84724 76 5S 0.77721 -0.77721 -0.33426 -0.33426 0.33426 77 6PX 0.16789 -0.16789 0.02836 0.03634 -0.02836 78 6PY -0.16789 0.19498 -0.02836 -0.02836 0.03634 79 6PZ 0.19498 -0.16789 0.03634 0.02836 -0.02836 80 7PX 0.77367 -0.77367 0.14969 0.11961 -0.14969 81 7PY -0.77367 0.67465 -0.14969 -0.14969 0.11961 82 7PZ 0.67465 -0.77367 0.11961 0.14969 -0.14969 83 8PX 0.39325 -0.39325 -0.12041 -0.24299 0.12041 84 8PY -0.39325 0.40632 0.12041 0.12041 -0.24299 85 8PZ 0.40632 -0.39325 -0.24299 -0.12041 0.12041 86 9D 0 0.04037 0.02019 -0.00582 0.00291 -0.00291 87 9D+1 -0.20714 0.21111 -0.05644 -0.05644 0.04279 88 9D-1 0.20714 -0.20714 0.05644 0.04279 -0.05644 89 9D+2 0.00000 0.03496 0.00000 -0.00504 -0.00504 90 9D-2 0.21111 -0.20714 0.04279 0.05644 -0.05644 91 5 C 1S 0.01731 0.01731 -0.69511 0.69511 -0.69511 92 2S 0.05451 0.05451 0.87488 -0.87488 0.87488 93 3S -0.31436 -0.31436 -0.87798 0.87798 -0.87798 94 4S -0.60412 -0.60412 0.84724 -0.84724 0.84724 95 5S 0.77721 0.77721 -0.33426 0.33426 -0.33426 96 6PX -0.16789 -0.16789 -0.02836 0.03634 -0.02836 97 6PY 0.16789 0.19498 0.02836 -0.02836 0.03634 98 6PZ 0.19498 0.16789 0.03634 -0.02836 0.02836 99 7PX -0.77367 -0.77367 -0.14969 0.11961 -0.14969 100 7PY 0.77367 0.67465 0.14969 -0.14969 0.11961 101 7PZ 0.67465 0.77367 0.11961 -0.14969 0.14969 102 8PX -0.39325 -0.39325 0.12041 -0.24299 0.12041 103 8PY 0.39325 0.40632 -0.12041 0.12041 -0.24299 104 8PZ 0.40632 0.39325 -0.24299 0.12041 -0.12041 105 9D 0 0.04037 -0.02019 -0.00582 -0.00291 0.00291 106 9D+1 0.20714 0.21111 0.05644 -0.05644 0.04279 107 9D-1 -0.20714 -0.20714 -0.05644 0.04279 -0.05644 108 9D+2 0.00000 -0.03496 0.00000 0.00504 0.00504 109 9D-2 0.21111 0.20714 0.04279 -0.05644 0.05644 110 6 O 1S -0.00911 -0.00911 -0.00251 -0.00251 -0.00251 111 2S -0.03777 -0.03777 -0.00235 -0.00235 -0.00235 112 3S 0.50632 0.50632 0.12681 0.12681 0.12681 113 4S -1.38447 -1.38447 -0.40386 -0.40386 -0.40386 114 5S -0.57210 -0.57210 0.30819 0.30819 0.30819 115 6PX -0.09489 -0.09489 -0.00548 -0.00171 -0.00548 116 6PY -0.09489 -0.10616 -0.00548 -0.00548 -0.00171 117 6PZ -0.10616 -0.09489 -0.00171 -0.00548 -0.00548 118 7PX 0.57479 0.57479 0.13105 0.11376 0.13105 119 7PY 0.57479 0.61304 0.13105 0.13105 0.11376 120 7PZ 0.61304 0.57479 0.11376 0.13105 0.13105 121 8PX -0.00785 -0.00785 -0.07716 -0.00729 -0.07716 122 8PY -0.00785 -0.00314 -0.07716 -0.07716 -0.00729 123 8PZ -0.00314 -0.00785 -0.00729 -0.07716 -0.07716 124 9D 0 -0.01987 0.00994 -0.00128 0.00064 0.00064 125 9D+1 -0.24462 -0.21645 -0.05692 -0.05692 -0.05568 126 9D-1 -0.24462 -0.24462 -0.05692 -0.05568 -0.05692 127 9D+2 0.00000 0.01721 0.00000 -0.00111 0.00111 128 9D-2 -0.21645 -0.24462 -0.05568 -0.05692 -0.05692 129 7 O 1S 0.00911 -0.00911 0.00251 0.00251 -0.00251 130 2S 0.03777 -0.03777 0.00235 0.00235 -0.00235 131 3S -0.50632 0.50632 -0.12681 -0.12681 0.12681 132 4S 1.38447 -1.38447 0.40386 0.40386 -0.40386 133 5S 0.57210 -0.57210 -0.30819 -0.30819 0.30819 134 6PX -0.09489 0.09489 -0.00548 -0.00171 0.00548 135 6PY 0.09489 -0.10616 0.00548 0.00548 -0.00171 136 6PZ -0.10616 0.09489 -0.00171 -0.00548 0.00548 137 7PX 0.57479 -0.57479 0.13105 0.11376 -0.13105 138 7PY -0.57479 0.61304 -0.13105 -0.13105 0.11376 139 7PZ 0.61304 -0.57479 0.11376 0.13105 -0.13105 140 8PX -0.00785 0.00785 -0.07716 -0.00729 0.07716 141 8PY 0.00785 -0.00314 0.07716 0.07716 -0.00729 142 8PZ -0.00314 0.00785 -0.00729 -0.07716 0.07716 143 9D 0 0.01987 0.00994 0.00128 -0.00064 0.00064 144 9D+1 0.24462 -0.21645 0.05692 0.05692 -0.05568 145 9D-1 -0.24462 0.24462 -0.05692 -0.05568 0.05692 146 9D+2 0.00000 0.01721 0.00000 0.00111 0.00111 147 9D-2 -0.21645 0.24462 -0.05568 -0.05692 0.05692 148 8 O 1S 0.00911 0.00911 0.00251 -0.00251 0.00251 149 2S 0.03777 0.03777 0.00235 -0.00235 0.00235 150 3S -0.50632 -0.50632 -0.12681 0.12681 -0.12681 151 4S 1.38447 1.38447 0.40386 -0.40386 0.40386 152 5S 0.57210 0.57210 -0.30819 0.30819 -0.30819 153 6PX 0.09489 0.09489 0.00548 -0.00171 0.00548 154 6PY -0.09489 -0.10616 -0.00548 0.00548 -0.00171 155 6PZ -0.10616 -0.09489 -0.00171 0.00548 -0.00548 156 7PX -0.57479 -0.57479 -0.13105 0.11376 -0.13105 157 7PY 0.57479 0.61304 0.13105 -0.13105 0.11376 158 7PZ 0.61304 0.57479 0.11376 -0.13105 0.13105 159 8PX 0.00785 0.00785 0.07716 -0.00729 0.07716 160 8PY -0.00785 -0.00314 -0.07716 0.07716 -0.00729 161 8PZ -0.00314 -0.00785 -0.00729 0.07716 -0.07716 162 9D 0 0.01987 -0.00994 0.00128 0.00064 -0.00064 163 9D+1 -0.24462 -0.21645 -0.05692 0.05692 -0.05568 164 9D-1 0.24462 0.24462 0.05692 -0.05568 0.05692 165 9D+2 0.00000 -0.01721 0.00000 -0.00111 -0.00111 166 9D-2 -0.21645 -0.24462 -0.05568 0.05692 -0.05692 167 9 O 1S -0.00911 0.00911 -0.00251 0.00251 0.00251 168 2S -0.03777 0.03777 -0.00235 0.00235 0.00235 169 3S 0.50632 -0.50632 0.12681 -0.12681 -0.12681 170 4S -1.38447 1.38447 -0.40386 0.40386 0.40386 171 5S -0.57210 0.57210 0.30819 -0.30819 -0.30819 172 6PX 0.09489 -0.09489 0.00548 -0.00171 -0.00548 173 6PY 0.09489 -0.10616 0.00548 -0.00548 -0.00171 174 6PZ -0.10616 0.09489 -0.00171 0.00548 0.00548 175 7PX -0.57479 0.57479 -0.13105 0.11376 0.13105 176 7PY -0.57479 0.61304 -0.13105 0.13105 0.11376 177 7PZ 0.61304 -0.57479 0.11376 -0.13105 -0.13105 178 8PX 0.00785 -0.00785 0.07716 -0.00729 -0.07716 179 8PY 0.00785 -0.00314 0.07716 -0.07716 -0.00729 180 8PZ -0.00314 0.00785 -0.00729 0.07716 0.07716 181 9D 0 -0.01987 -0.00994 -0.00128 -0.00064 -0.00064 182 9D+1 0.24462 -0.21645 0.05692 -0.05692 -0.05568 183 9D-1 0.24462 -0.24462 0.05692 -0.05568 -0.05692 184 9D+2 0.00000 -0.01721 0.00000 0.00111 -0.00111 185 9D-2 -0.21645 0.24462 -0.05568 0.05692 0.05692 181 182 183 184 185 (A1)--V (T2)--V (T2)--V (T2)--V (A1)--V Eigenvalues -- 22.08155 43.34629 43.34629 43.34629 43.40314 1 1 Ni 1S 0.00208 0.00000 0.00000 0.00000 -0.00049 2 2S 0.00772 0.00000 0.00000 0.00000 -0.00229 3 3S 0.04071 0.00000 0.00000 0.00000 -0.01041 4 4S -0.15202 0.00000 0.00000 0.00000 0.03628 5 5S 0.69251 0.00000 0.00000 0.00000 0.07901 6 6S -0.87953 0.00000 0.00000 0.00000 -0.62787 7 7PX 0.00000 -0.00208 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 -0.00208 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 -0.00208 0.00000 10 8PX 0.00000 0.00923 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00923 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00923 0.00000 13 9PX 0.00000 -0.01418 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 -0.01418 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.01418 0.00000 16 10PX 0.00000 -0.06464 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 -0.06464 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 -0.06464 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.00372 0.00000 0.00000 21 11D-1 0.00000 -0.00372 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.00372 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.01642 0.00000 0.00000 26 12D-1 0.00000 0.01642 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.01642 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 -0.07785 0.00000 0.00000 31 13D-1 0.00000 -0.07785 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.07785 0.00000 34 2 C 1S 0.69674 -0.00433 -0.00433 -0.00433 -0.00255 35 2S -0.88453 0.01125 0.01125 0.01125 0.00793 36 3S 0.94622 -0.08791 -0.08791 -0.08791 -0.06237 37 4S -0.89558 0.18980 0.18980 0.18980 0.07855 38 5S 0.55833 0.18067 0.18067 0.18067 0.55881 39 6PX 0.02176 -0.01780 -0.01247 -0.01247 -0.01571 40 6PY 0.02176 -0.01247 -0.01780 -0.01247 -0.01571 41 6PZ 0.02176 -0.01247 -0.01247 -0.01780 -0.01571 42 7PX 0.21712 -0.03157 -0.05201 -0.05201 -0.04038 43 7PY 0.21712 -0.05201 -0.03157 -0.05201 -0.04038 44 7PZ 0.21712 -0.05201 -0.05201 -0.03157 -0.04038 45 8PX -0.03621 0.15356 0.14365 0.14365 0.12940 46 8PY -0.03621 0.14365 0.15356 0.14365 0.12940 47 8PZ -0.03621 0.14365 0.14365 0.15356 0.12940 48 9D 0 0.00000 -0.00039 -0.00039 0.00077 0.00000 49 9D+1 0.05519 -0.00416 -0.00188 -0.00416 -0.00903 50 9D-1 0.05519 -0.00188 -0.00416 -0.00416 -0.00903 51 9D+2 0.00000 0.00067 -0.00067 0.00000 0.00000 52 9D-2 0.05519 -0.00416 -0.00416 -0.00188 -0.00903 53 3 C 1S 0.69674 0.00433 0.00433 -0.00433 -0.00255 54 2S -0.88453 -0.01125 -0.01125 0.01125 0.00793 55 3S 0.94622 0.08791 0.08791 -0.08791 -0.06237 56 4S -0.89558 -0.18980 -0.18980 0.18980 0.07855 57 5S 0.55833 -0.18067 -0.18067 0.18067 0.55881 58 6PX -0.02176 -0.01780 -0.01247 0.01247 0.01571 59 6PY -0.02176 -0.01247 -0.01780 0.01247 0.01571 60 6PZ 0.02176 0.01247 0.01247 -0.01780 -0.01571 61 7PX -0.21712 -0.03157 -0.05201 0.05201 0.04038 62 7PY -0.21712 -0.05201 -0.03157 0.05201 0.04038 63 7PZ 0.21712 0.05201 0.05201 -0.03157 -0.04038 64 8PX 0.03621 0.15356 0.14365 -0.14365 -0.12940 65 8PY 0.03621 0.14365 0.15356 -0.14365 -0.12940 66 8PZ -0.03621 -0.14365 -0.14365 0.15356 0.12940 67 9D 0 0.00000 0.00039 0.00039 0.00077 0.00000 68 9D+1 -0.05519 -0.00416 -0.00188 0.00416 0.00903 69 9D-1 -0.05519 -0.00188 -0.00416 0.00416 0.00903 70 9D+2 0.00000 -0.00067 0.00067 0.00000 0.00000 71 9D-2 0.05519 0.00416 0.00416 -0.00188 -0.00903 72 4 C 1S 0.69674 0.00433 -0.00433 0.00433 -0.00255 73 2S -0.88453 -0.01125 0.01125 -0.01125 0.00793 74 3S 0.94622 0.08791 -0.08791 0.08791 -0.06237 75 4S -0.89558 -0.18980 0.18980 -0.18980 0.07855 76 5S 0.55833 -0.18067 0.18067 -0.18067 0.55881 77 6PX -0.02176 -0.01780 0.01247 -0.01247 0.01571 78 6PY 0.02176 0.01247 -0.01780 0.01247 -0.01571 79 6PZ -0.02176 -0.01247 0.01247 -0.01780 0.01571 80 7PX -0.21712 -0.03157 0.05201 -0.05201 0.04038 81 7PY 0.21712 0.05201 -0.03157 0.05201 -0.04038 82 7PZ -0.21712 -0.05201 0.05201 -0.03157 0.04038 83 8PX 0.03621 0.15356 -0.14365 0.14365 -0.12940 84 8PY -0.03621 -0.14365 0.15356 -0.14365 0.12940 85 8PZ 0.03621 0.14365 -0.14365 0.15356 -0.12940 86 9D 0 0.00000 0.00039 -0.00039 -0.00077 0.00000 87 9D+1 0.05519 0.00416 -0.00188 0.00416 -0.00903 88 9D-1 -0.05519 -0.00188 0.00416 -0.00416 0.00903 89 9D+2 0.00000 -0.00067 -0.00067 0.00000 0.00000 90 9D-2 -0.05519 -0.00416 0.00416 -0.00188 0.00903 91 5 C 1S 0.69674 -0.00433 0.00433 0.00433 -0.00255 92 2S -0.88453 0.01125 -0.01125 -0.01125 0.00793 93 3S 0.94622 -0.08791 0.08791 0.08791 -0.06237 94 4S -0.89558 0.18980 -0.18980 -0.18980 0.07855 95 5S 0.55833 0.18067 -0.18067 -0.18067 0.55881 96 6PX 0.02176 -0.01780 0.01247 0.01247 -0.01571 97 6PY -0.02176 0.01247 -0.01780 -0.01247 0.01571 98 6PZ -0.02176 0.01247 -0.01247 -0.01780 0.01571 99 7PX 0.21712 -0.03157 0.05201 0.05201 -0.04038 100 7PY -0.21712 0.05201 -0.03157 -0.05201 0.04038 101 7PZ -0.21712 0.05201 -0.05201 -0.03157 0.04038 102 8PX -0.03621 0.15356 -0.14365 -0.14365 0.12940 103 8PY 0.03621 -0.14365 0.15356 0.14365 -0.12940 104 8PZ 0.03621 -0.14365 0.14365 0.15356 -0.12940 105 9D 0 0.00000 -0.00039 0.00039 -0.00077 0.00000 106 9D+1 -0.05519 0.00416 -0.00188 -0.00416 0.00903 107 9D-1 0.05519 -0.00188 0.00416 0.00416 -0.00903 108 9D+2 0.00000 0.00067 0.00067 0.00000 0.00000 109 9D-2 -0.05519 0.00416 -0.00416 -0.00188 0.00903 110 6 O 1S -0.00128 -0.69631 -0.69631 -0.69631 -0.69660 111 2S -0.00249 0.85383 0.85383 0.85383 0.85547 112 3S 0.12029 -0.81588 -0.81588 -0.81588 -0.83160 113 4S -0.38459 0.96120 0.96120 0.96120 1.01748 114 5S 0.03080 -0.77663 -0.77663 -0.77663 -0.88161 115 6PX -0.00849 0.00865 0.00790 0.00790 0.00851 116 6PY -0.00849 0.00790 0.00865 0.00790 0.00851 117 6PZ -0.00849 0.00790 0.00790 0.00865 0.00851 118 7PX 0.15291 -0.04349 -0.04074 -0.04074 -0.04887 119 7PY 0.15291 -0.04074 -0.04349 -0.04074 -0.04887 120 7PZ 0.15291 -0.04074 -0.04074 -0.04349 -0.04887 121 8PX -0.04122 0.06787 0.07362 0.07362 0.08724 122 8PY -0.04122 0.07362 0.06787 0.07362 0.08724 123 8PZ -0.04122 0.07362 0.07362 0.06787 0.08724 124 9D 0 0.00000 -0.00056 -0.00056 0.00111 0.00000 125 9D+1 -0.06062 0.00942 0.00828 0.00942 0.01050 126 9D-1 -0.06062 0.00828 0.00942 0.00942 0.01050 127 9D+2 0.00000 0.00096 -0.00096 0.00000 0.00000 128 9D-2 -0.06062 0.00942 0.00942 0.00828 0.01050 129 7 O 1S -0.00128 0.69631 -0.69631 0.69631 -0.69660 130 2S -0.00249 -0.85383 0.85383 -0.85383 0.85547 131 3S 0.12029 0.81588 -0.81588 0.81588 -0.83160 132 4S -0.38459 -0.96120 0.96120 -0.96120 1.01748 133 5S 0.03080 0.77663 -0.77663 0.77663 -0.88161 134 6PX 0.00849 0.00865 -0.00790 0.00790 -0.00851 135 6PY -0.00849 -0.00790 0.00865 -0.00790 0.00851 136 6PZ 0.00849 0.00790 -0.00790 0.00865 -0.00851 137 7PX -0.15291 -0.04349 0.04074 -0.04074 0.04887 138 7PY 0.15291 0.04074 -0.04349 0.04074 -0.04887 139 7PZ -0.15291 -0.04074 0.04074 -0.04349 0.04887 140 8PX 0.04122 0.06787 -0.07362 0.07362 -0.08724 141 8PY -0.04122 -0.07362 0.06787 -0.07362 0.08724 142 8PZ 0.04122 0.07362 -0.07362 0.06787 -0.08724 143 9D 0 0.00000 0.00056 -0.00056 -0.00111 0.00000 144 9D+1 -0.06062 -0.00942 0.00828 -0.00942 0.01050 145 9D-1 0.06062 0.00828 -0.00942 0.00942 -0.01050 146 9D+2 0.00000 -0.00096 -0.00096 0.00000 0.00000 147 9D-2 0.06062 0.00942 -0.00942 0.00828 -0.01050 148 8 O 1S -0.00128 -0.69631 0.69631 0.69631 -0.69660 149 2S -0.00249 0.85383 -0.85383 -0.85383 0.85547 150 3S 0.12029 -0.81588 0.81588 0.81588 -0.83160 151 4S -0.38459 0.96120 -0.96120 -0.96120 1.01748 152 5S 0.03080 -0.77663 0.77663 0.77663 -0.88161 153 6PX -0.00849 0.00865 -0.00790 -0.00790 0.00851 154 6PY 0.00849 -0.00790 0.00865 0.00790 -0.00851 155 6PZ 0.00849 -0.00790 0.00790 0.00865 -0.00851 156 7PX 0.15291 -0.04349 0.04074 0.04074 -0.04887 157 7PY -0.15291 0.04074 -0.04349 -0.04074 0.04887 158 7PZ -0.15291 0.04074 -0.04074 -0.04349 0.04887 159 8PX -0.04122 0.06787 -0.07362 -0.07362 0.08724 160 8PY 0.04122 -0.07362 0.06787 0.07362 -0.08724 161 8PZ 0.04122 -0.07362 0.07362 0.06787 -0.08724 162 9D 0 0.00000 -0.00056 0.00056 -0.00111 0.00000 163 9D+1 0.06062 -0.00942 0.00828 0.00942 -0.01050 164 9D-1 -0.06062 0.00828 -0.00942 -0.00942 0.01050 165 9D+2 0.00000 0.00096 0.00096 0.00000 0.00000 166 9D-2 0.06062 -0.00942 0.00942 0.00828 -0.01050 167 9 O 1S -0.00128 0.69631 0.69631 -0.69631 -0.69660 168 2S -0.00249 -0.85383 -0.85383 0.85383 0.85547 169 3S 0.12029 0.81588 0.81588 -0.81588 -0.83160 170 4S -0.38459 -0.96120 -0.96120 0.96120 1.01748 171 5S 0.03080 0.77663 0.77663 -0.77663 -0.88161 172 6PX 0.00849 0.00865 0.00790 -0.00790 -0.00851 173 6PY 0.00849 0.00790 0.00865 -0.00790 -0.00851 174 6PZ -0.00849 -0.00790 -0.00790 0.00865 0.00851 175 7PX -0.15291 -0.04349 -0.04074 0.04074 0.04887 176 7PY -0.15291 -0.04074 -0.04349 0.04074 0.04887 177 7PZ 0.15291 0.04074 0.04074 -0.04349 -0.04887 178 8PX 0.04122 0.06787 0.07362 -0.07362 -0.08724 179 8PY 0.04122 0.07362 0.06787 -0.07362 -0.08724 180 8PZ -0.04122 -0.07362 -0.07362 0.06787 0.08724 181 9D 0 0.00000 0.00056 0.00056 0.00111 0.00000 182 9D+1 0.06062 0.00942 0.00828 -0.00942 -0.01050 183 9D-1 0.06062 0.00828 0.00942 -0.00942 -0.01050 184 9D+2 0.00000 -0.00096 0.00096 0.00000 0.00000 185 9D-2 -0.06062 -0.00942 -0.00942 0.00828 0.01050 Density Matrix: 1 2 3 4 5 1 1 Ni 1S 2.22187 2 2S -0.75864 2.59410 3 3S 0.12325 -0.51789 0.85777 4 4S 0.13452 -0.49548 0.63904 0.48366 5 5S -0.01688 0.03300 -0.04422 -0.05527 0.22853 6 6S -0.00304 0.00572 -0.00938 -0.01216 0.05197 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00143 -0.00449 0.01096 0.00879 -0.01781 35 2S 0.00309 -0.00968 0.02330 0.01913 -0.03961 36 3S -0.00503 0.01570 -0.03654 -0.03055 0.06315 37 4S -0.00783 0.02450 -0.05723 -0.05118 0.11405 38 5S -0.00108 0.00746 -0.02093 -0.01648 0.01419 39 6PX 0.00329 -0.01070 0.02450 0.02451 -0.05831 40 6PY 0.00329 -0.01070 0.02450 0.02451 -0.05831 41 6PZ 0.00329 -0.01070 0.02450 0.02451 -0.05831 42 7PX 0.00152 -0.00612 0.01800 0.01701 -0.03724 43 7PY 0.00152 -0.00612 0.01800 0.01701 -0.03724 44 7PZ 0.00152 -0.00612 0.01800 0.01701 -0.03724 45 8PX -0.00066 0.00018 0.00304 0.00158 0.00528 46 8PY -0.00066 0.00018 0.00304 0.00158 0.00528 47 8PZ -0.00066 0.00018 0.00304 0.00158 0.00528 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00013 -0.00064 0.00129 0.00124 -0.00148 50 9D-1 0.00013 -0.00064 0.00129 0.00124 -0.00148 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00013 -0.00064 0.00129 0.00124 -0.00148 53 3 C 1S 0.00143 -0.00449 0.01096 0.00879 -0.01781 54 2S 0.00309 -0.00968 0.02330 0.01913 -0.03961 55 3S -0.00503 0.01570 -0.03654 -0.03055 0.06315 56 4S -0.00783 0.02450 -0.05723 -0.05118 0.11405 57 5S -0.00108 0.00746 -0.02093 -0.01648 0.01419 58 6PX -0.00329 0.01070 -0.02450 -0.02451 0.05831 59 6PY -0.00329 0.01070 -0.02450 -0.02451 0.05831 60 6PZ 0.00329 -0.01070 0.02450 0.02451 -0.05831 61 7PX -0.00152 0.00612 -0.01800 -0.01701 0.03724 62 7PY -0.00152 0.00612 -0.01800 -0.01701 0.03724 63 7PZ 0.00152 -0.00612 0.01800 0.01701 -0.03724 64 8PX 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 65 8PY 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 66 8PZ -0.00066 0.00018 0.00304 0.00158 0.00528 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 -0.00013 0.00064 -0.00129 -0.00124 0.00148 69 9D-1 -0.00013 0.00064 -0.00129 -0.00124 0.00148 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00013 -0.00064 0.00129 0.00124 -0.00148 72 4 C 1S 0.00143 -0.00449 0.01096 0.00879 -0.01781 73 2S 0.00309 -0.00968 0.02330 0.01913 -0.03961 74 3S -0.00503 0.01570 -0.03654 -0.03055 0.06315 75 4S -0.00783 0.02450 -0.05723 -0.05118 0.11405 76 5S -0.00108 0.00746 -0.02093 -0.01648 0.01419 77 6PX -0.00329 0.01070 -0.02450 -0.02451 0.05831 78 6PY 0.00329 -0.01070 0.02450 0.02451 -0.05831 79 6PZ -0.00329 0.01070 -0.02450 -0.02451 0.05831 80 7PX -0.00152 0.00612 -0.01800 -0.01701 0.03724 81 7PY 0.00152 -0.00612 0.01800 0.01701 -0.03724 82 7PZ -0.00152 0.00612 -0.01800 -0.01701 0.03724 83 8PX 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 84 8PY -0.00066 0.00018 0.00304 0.00158 0.00528 85 8PZ 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00013 -0.00064 0.00129 0.00124 -0.00148 88 9D-1 -0.00013 0.00064 -0.00129 -0.00124 0.00148 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 -0.00013 0.00064 -0.00129 -0.00124 0.00148 91 5 C 1S 0.00143 -0.00449 0.01096 0.00879 -0.01781 92 2S 0.00309 -0.00968 0.02330 0.01913 -0.03961 93 3S -0.00503 0.01570 -0.03654 -0.03055 0.06315 94 4S -0.00783 0.02450 -0.05723 -0.05118 0.11405 95 5S -0.00108 0.00746 -0.02093 -0.01648 0.01419 96 6PX 0.00329 -0.01070 0.02450 0.02451 -0.05831 97 6PY -0.00329 0.01070 -0.02450 -0.02451 0.05831 98 6PZ -0.00329 0.01070 -0.02450 -0.02451 0.05831 99 7PX 0.00152 -0.00612 0.01800 0.01701 -0.03724 100 7PY -0.00152 0.00612 -0.01800 -0.01701 0.03724 101 7PZ -0.00152 0.00612 -0.01800 -0.01701 0.03724 102 8PX -0.00066 0.00018 0.00304 0.00158 0.00528 103 8PY 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 104 8PZ 0.00066 -0.00018 -0.00304 -0.00158 -0.00528 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 -0.00013 0.00064 -0.00129 -0.00124 0.00148 107 9D-1 0.00013 -0.00064 0.00129 0.00124 -0.00148 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 -0.00013 0.00064 -0.00129 -0.00124 0.00148 110 6 O 1S -0.00022 0.00076 -0.00158 -0.00191 0.00280 111 2S -0.00053 0.00180 -0.00389 -0.00442 0.00698 112 3S 0.00088 -0.00314 0.00758 0.00757 -0.01346 113 4S 0.00121 -0.00300 0.00471 0.00494 -0.00899 114 5S 0.00194 -0.00426 0.00400 0.00283 -0.00507 115 6PX -0.00123 0.00422 -0.00927 -0.01155 0.03216 116 6PY -0.00123 0.00422 -0.00927 -0.01155 0.03216 117 6PZ -0.00123 0.00422 -0.00927 -0.01155 0.03216 118 7PX -0.00117 0.00332 -0.00572 -0.00765 0.02358 119 7PY -0.00117 0.00332 -0.00572 -0.00765 0.02358 120 7PZ -0.00117 0.00332 -0.00572 -0.00765 0.02358 121 8PX -0.00052 0.00195 -0.00427 -0.00453 0.01049 122 8PY -0.00052 0.00195 -0.00427 -0.00453 0.01049 123 8PZ -0.00052 0.00195 -0.00427 -0.00453 0.01049 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00009 -0.00021 0.00028 0.00052 -0.00195 126 9D-1 0.00009 -0.00021 0.00028 0.00052 -0.00195 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00009 -0.00021 0.00028 0.00052 -0.00195 129 7 O 1S -0.00022 0.00076 -0.00158 -0.00191 0.00280 130 2S -0.00053 0.00180 -0.00389 -0.00442 0.00698 131 3S 0.00088 -0.00314 0.00758 0.00757 -0.01346 132 4S 0.00121 -0.00300 0.00471 0.00494 -0.00899 133 5S 0.00194 -0.00426 0.00400 0.00283 -0.00507 134 6PX 0.00123 -0.00422 0.00927 0.01155 -0.03216 135 6PY -0.00123 0.00422 -0.00927 -0.01155 0.03216 136 6PZ 0.00123 -0.00422 0.00927 0.01155 -0.03216 137 7PX 0.00117 -0.00332 0.00572 0.00765 -0.02358 138 7PY -0.00117 0.00332 -0.00572 -0.00765 0.02358 139 7PZ 0.00117 -0.00332 0.00572 0.00765 -0.02358 140 8PX 0.00052 -0.00195 0.00427 0.00453 -0.01049 141 8PY -0.00052 0.00195 -0.00427 -0.00453 0.01049 142 8PZ 0.00052 -0.00195 0.00427 0.00453 -0.01049 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00009 -0.00021 0.00028 0.00052 -0.00195 145 9D-1 -0.00009 0.00021 -0.00028 -0.00052 0.00195 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 -0.00009 0.00021 -0.00028 -0.00052 0.00195 148 8 O 1S -0.00022 0.00076 -0.00158 -0.00191 0.00280 149 2S -0.00053 0.00180 -0.00389 -0.00442 0.00698 150 3S 0.00088 -0.00314 0.00758 0.00757 -0.01346 151 4S 0.00121 -0.00300 0.00471 0.00494 -0.00899 152 5S 0.00194 -0.00426 0.00400 0.00283 -0.00507 153 6PX -0.00123 0.00422 -0.00927 -0.01155 0.03216 154 6PY 0.00123 -0.00422 0.00927 0.01155 -0.03216 155 6PZ 0.00123 -0.00422 0.00927 0.01155 -0.03216 156 7PX -0.00117 0.00332 -0.00572 -0.00765 0.02358 157 7PY 0.00117 -0.00332 0.00572 0.00765 -0.02358 158 7PZ 0.00117 -0.00332 0.00572 0.00765 -0.02358 159 8PX -0.00052 0.00195 -0.00427 -0.00453 0.01049 160 8PY 0.00052 -0.00195 0.00427 0.00453 -0.01049 161 8PZ 0.00052 -0.00195 0.00427 0.00453 -0.01049 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00009 0.00021 -0.00028 -0.00052 0.00195 164 9D-1 0.00009 -0.00021 0.00028 0.00052 -0.00195 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00009 0.00021 -0.00028 -0.00052 0.00195 167 9 O 1S -0.00022 0.00076 -0.00158 -0.00191 0.00280 168 2S -0.00053 0.00180 -0.00389 -0.00442 0.00698 169 3S 0.00088 -0.00314 0.00758 0.00757 -0.01346 170 4S 0.00121 -0.00300 0.00471 0.00494 -0.00899 171 5S 0.00194 -0.00426 0.00400 0.00283 -0.00507 172 6PX 0.00123 -0.00422 0.00927 0.01155 -0.03216 173 6PY 0.00123 -0.00422 0.00927 0.01155 -0.03216 174 6PZ -0.00123 0.00422 -0.00927 -0.01155 0.03216 175 7PX 0.00117 -0.00332 0.00572 0.00765 -0.02358 176 7PY 0.00117 -0.00332 0.00572 0.00765 -0.02358 177 7PZ -0.00117 0.00332 -0.00572 -0.00765 0.02358 178 8PX 0.00052 -0.00195 0.00427 0.00453 -0.01049 179 8PY 0.00052 -0.00195 0.00427 0.00453 -0.01049 180 8PZ -0.00052 0.00195 -0.00427 -0.00453 0.01049 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 -0.00009 0.00021 -0.00028 -0.00052 0.00195 183 9D-1 -0.00009 0.00021 -0.00028 -0.00052 0.00195 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00009 -0.00021 0.00028 0.00052 -0.00195 6 7 8 9 10 6 6S 0.01258 7 7PX 0.00000 2.26034 8 7PY 0.00000 0.00000 2.26034 9 7PZ 0.00000 0.00000 0.00000 2.26034 10 8PX 0.00000 -0.63458 0.00000 0.00000 1.57886 11 8PY 0.00000 0.00000 -0.63458 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.63458 0.00000 13 9PX 0.00000 -0.21266 0.00000 0.00000 0.45659 14 9PY 0.00000 0.00000 -0.21266 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.21266 0.00000 16 10PX 0.00000 0.01856 0.00000 0.00000 -0.03644 17 10PY 0.00000 0.00000 0.01856 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.01856 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 -0.01468 0.00000 0.00000 21 11D-1 0.00000 -0.01468 0.00000 0.00000 0.04039 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 -0.01468 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 -0.00872 0.00000 0.00000 26 12D-1 0.00000 -0.00872 0.00000 0.00000 0.02351 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 -0.00872 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 -0.00553 0.00000 0.00000 31 13D-1 0.00000 -0.00553 0.00000 0.00000 0.01510 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 -0.00553 0.00000 34 2 C 1S -0.00916 -0.00400 -0.00400 -0.00400 0.01108 35 2S -0.01492 -0.00860 -0.00860 -0.00860 0.02395 36 3S 0.01045 0.01357 0.01357 0.01357 -0.03881 37 4S 0.02330 0.02435 0.02435 0.02435 -0.06605 38 5S 0.00273 0.01202 0.01202 0.01202 -0.03901 39 6PX -0.01447 -0.00425 -0.01063 -0.01063 0.01250 40 6PY -0.01447 -0.01063 -0.00425 -0.01063 0.03013 41 6PZ -0.01447 -0.01063 -0.01063 -0.00425 0.03013 42 7PX -0.00898 -0.00182 -0.00727 -0.00727 0.00328 43 7PY -0.00898 -0.00727 -0.00182 -0.00727 0.01942 44 7PZ -0.00898 -0.00727 -0.00727 -0.00182 0.01942 45 8PX 0.00135 0.00447 -0.00085 -0.00085 -0.00974 46 8PY 0.00135 -0.00085 0.00447 -0.00085 0.00591 47 8PZ 0.00135 -0.00085 -0.00085 0.00447 0.00591 48 9D 0 0.00000 0.00008 0.00008 -0.00016 -0.00040 49 9D+1 -0.00053 -0.00082 -0.00065 -0.00082 0.00271 50 9D-1 -0.00053 -0.00065 -0.00082 -0.00082 0.00212 51 9D+2 0.00000 -0.00014 0.00014 0.00000 0.00069 52 9D-2 -0.00053 -0.00082 -0.00082 -0.00065 0.00271 53 3 C 1S -0.00916 0.00400 0.00400 -0.00400 -0.01108 54 2S -0.01492 0.00860 0.00860 -0.00860 -0.02395 55 3S 0.01045 -0.01357 -0.01357 0.01357 0.03881 56 4S 0.02330 -0.02435 -0.02435 0.02435 0.06605 57 5S 0.00273 -0.01202 -0.01202 0.01202 0.03901 58 6PX 0.01447 -0.00425 -0.01063 0.01063 0.01250 59 6PY 0.01447 -0.01063 -0.00425 0.01063 0.03013 60 6PZ -0.01447 0.01063 0.01063 -0.00425 -0.03013 61 7PX 0.00898 -0.00182 -0.00727 0.00727 0.00328 62 7PY 0.00898 -0.00727 -0.00182 0.00727 0.01942 63 7PZ -0.00898 0.00727 0.00727 -0.00182 -0.01942 64 8PX -0.00135 0.00447 -0.00085 0.00085 -0.00974 65 8PY -0.00135 -0.00085 0.00447 0.00085 0.00591 66 8PZ 0.00135 0.00085 0.00085 0.00447 -0.00591 67 9D 0 0.00000 -0.00008 -0.00008 -0.00016 0.00040 68 9D+1 0.00053 -0.00082 -0.00065 0.00082 0.00271 69 9D-1 0.00053 -0.00065 -0.00082 0.00082 0.00212 70 9D+2 0.00000 0.00014 -0.00014 0.00000 -0.00069 71 9D-2 -0.00053 0.00082 0.00082 -0.00065 -0.00271 72 4 C 1S -0.00916 0.00400 -0.00400 0.00400 -0.01108 73 2S -0.01492 0.00860 -0.00860 0.00860 -0.02395 74 3S 0.01045 -0.01357 0.01357 -0.01357 0.03881 75 4S 0.02330 -0.02435 0.02435 -0.02435 0.06605 76 5S 0.00273 -0.01202 0.01202 -0.01202 0.03901 77 6PX 0.01447 -0.00425 0.01063 -0.01063 0.01250 78 6PY -0.01447 0.01063 -0.00425 0.01063 -0.03013 79 6PZ 0.01447 -0.01063 0.01063 -0.00425 0.03013 80 7PX 0.00898 -0.00182 0.00727 -0.00727 0.00328 81 7PY -0.00898 0.00727 -0.00182 0.00727 -0.01942 82 7PZ 0.00898 -0.00727 0.00727 -0.00182 0.01942 83 8PX -0.00135 0.00447 0.00085 -0.00085 -0.00974 84 8PY 0.00135 0.00085 0.00447 0.00085 -0.00591 85 8PZ -0.00135 -0.00085 0.00085 0.00447 0.00591 86 9D 0 0.00000 -0.00008 0.00008 0.00016 0.00040 87 9D+1 -0.00053 0.00082 -0.00065 0.00082 -0.00271 88 9D-1 0.00053 -0.00065 0.00082 -0.00082 0.00212 89 9D+2 0.00000 0.00014 0.00014 0.00000 -0.00069 90 9D-2 0.00053 -0.00082 0.00082 -0.00065 0.00271 91 5 C 1S -0.00916 -0.00400 0.00400 0.00400 0.01108 92 2S -0.01492 -0.00860 0.00860 0.00860 0.02395 93 3S 0.01045 0.01357 -0.01357 -0.01357 -0.03881 94 4S 0.02330 0.02435 -0.02435 -0.02435 -0.06605 95 5S 0.00273 0.01202 -0.01202 -0.01202 -0.03901 96 6PX -0.01447 -0.00425 0.01063 0.01063 0.01250 97 6PY 0.01447 0.01063 -0.00425 -0.01063 -0.03013 98 6PZ 0.01447 0.01063 -0.01063 -0.00425 -0.03013 99 7PX -0.00898 -0.00182 0.00727 0.00727 0.00328 100 7PY 0.00898 0.00727 -0.00182 -0.00727 -0.01942 101 7PZ 0.00898 0.00727 -0.00727 -0.00182 -0.01942 102 8PX 0.00135 0.00447 0.00085 0.00085 -0.00974 103 8PY -0.00135 0.00085 0.00447 -0.00085 -0.00591 104 8PZ -0.00135 0.00085 -0.00085 0.00447 -0.00591 105 9D 0 0.00000 0.00008 -0.00008 0.00016 -0.00040 106 9D+1 0.00053 0.00082 -0.00065 -0.00082 -0.00271 107 9D-1 -0.00053 -0.00065 0.00082 0.00082 0.00212 108 9D+2 0.00000 -0.00014 -0.00014 0.00000 0.00069 109 9D-2 0.00053 0.00082 -0.00082 -0.00065 -0.00271 110 6 O 1S 0.00337 0.00081 0.00081 0.00081 -0.00226 111 2S 0.00526 0.00199 0.00199 0.00199 -0.00539 112 3S -0.00147 -0.00355 -0.00355 -0.00355 0.00936 113 4S 0.00043 -0.00375 -0.00375 -0.00375 0.01084 114 5S 0.00157 -0.00643 -0.00643 -0.00643 0.01699 115 6PX 0.01030 0.00203 0.00460 0.00460 -0.00553 116 6PY 0.01030 0.00460 0.00203 0.00460 -0.01266 117 6PZ 0.01030 0.00460 0.00460 0.00203 -0.01266 118 7PX 0.00743 0.00134 0.00367 0.00367 -0.00386 119 7PY 0.00743 0.00367 0.00134 0.00367 -0.01000 120 7PZ 0.00743 0.00367 0.00367 0.00134 -0.01000 121 8PX 0.00326 -0.00068 0.00331 0.00331 0.00177 122 8PY 0.00326 0.00331 -0.00068 0.00331 -0.01030 123 8PZ 0.00326 0.00331 0.00331 -0.00068 -0.01030 124 9D 0 0.00000 0.00006 0.00006 -0.00013 -0.00015 125 9D+1 -0.00061 -0.00019 -0.00009 -0.00019 0.00045 126 9D-1 -0.00061 -0.00009 -0.00019 -0.00019 0.00019 127 9D+2 0.00000 -0.00011 0.00011 0.00000 0.00027 128 9D-2 -0.00061 -0.00019 -0.00019 -0.00009 0.00045 129 7 O 1S 0.00337 -0.00081 0.00081 -0.00081 0.00226 130 2S 0.00526 -0.00199 0.00199 -0.00199 0.00539 131 3S -0.00147 0.00355 -0.00355 0.00355 -0.00936 132 4S 0.00043 0.00375 -0.00375 0.00375 -0.01084 133 5S 0.00157 0.00643 -0.00643 0.00643 -0.01699 134 6PX -0.01030 0.00203 -0.00460 0.00460 -0.00553 135 6PY 0.01030 -0.00460 0.00203 -0.00460 0.01266 136 6PZ -0.01030 0.00460 -0.00460 0.00203 -0.01266 137 7PX -0.00743 0.00134 -0.00367 0.00367 -0.00386 138 7PY 0.00743 -0.00367 0.00134 -0.00367 0.01000 139 7PZ -0.00743 0.00367 -0.00367 0.00134 -0.01000 140 8PX -0.00326 -0.00068 -0.00331 0.00331 0.00177 141 8PY 0.00326 -0.00331 -0.00068 -0.00331 0.01030 142 8PZ -0.00326 0.00331 -0.00331 -0.00068 -0.01030 143 9D 0 0.00000 -0.00006 0.00006 0.00013 0.00015 144 9D+1 -0.00061 0.00019 -0.00009 0.00019 -0.00045 145 9D-1 0.00061 -0.00009 0.00019 -0.00019 0.00019 146 9D+2 0.00000 0.00011 0.00011 0.00000 -0.00027 147 9D-2 0.00061 -0.00019 0.00019 -0.00009 0.00045 148 8 O 1S 0.00337 0.00081 -0.00081 -0.00081 -0.00226 149 2S 0.00526 0.00199 -0.00199 -0.00199 -0.00539 150 3S -0.00147 -0.00355 0.00355 0.00355 0.00936 151 4S 0.00043 -0.00375 0.00375 0.00375 0.01084 152 5S 0.00157 -0.00643 0.00643 0.00643 0.01699 153 6PX 0.01030 0.00203 -0.00460 -0.00460 -0.00553 154 6PY -0.01030 -0.00460 0.00203 0.00460 0.01266 155 6PZ -0.01030 -0.00460 0.00460 0.00203 0.01266 156 7PX 0.00743 0.00134 -0.00367 -0.00367 -0.00386 157 7PY -0.00743 -0.00367 0.00134 0.00367 0.01000 158 7PZ -0.00743 -0.00367 0.00367 0.00134 0.01000 159 8PX 0.00326 -0.00068 -0.00331 -0.00331 0.00177 160 8PY -0.00326 -0.00331 -0.00068 0.00331 0.01030 161 8PZ -0.00326 -0.00331 0.00331 -0.00068 0.01030 162 9D 0 0.00000 0.00006 -0.00006 0.00013 -0.00015 163 9D+1 0.00061 0.00019 -0.00009 -0.00019 -0.00045 164 9D-1 -0.00061 -0.00009 0.00019 0.00019 0.00019 165 9D+2 0.00000 -0.00011 -0.00011 0.00000 0.00027 166 9D-2 0.00061 0.00019 -0.00019 -0.00009 -0.00045 167 9 O 1S 0.00337 -0.00081 -0.00081 0.00081 0.00226 168 2S 0.00526 -0.00199 -0.00199 0.00199 0.00539 169 3S -0.00147 0.00355 0.00355 -0.00355 -0.00936 170 4S 0.00043 0.00375 0.00375 -0.00375 -0.01084 171 5S 0.00157 0.00643 0.00643 -0.00643 -0.01699 172 6PX -0.01030 0.00203 0.00460 -0.00460 -0.00553 173 6PY -0.01030 0.00460 0.00203 -0.00460 -0.01266 174 6PZ 0.01030 -0.00460 -0.00460 0.00203 0.01266 175 7PX -0.00743 0.00134 0.00367 -0.00367 -0.00386 176 7PY -0.00743 0.00367 0.00134 -0.00367 -0.01000 177 7PZ 0.00743 -0.00367 -0.00367 0.00134 0.01000 178 8PX -0.00326 -0.00068 0.00331 -0.00331 0.00177 179 8PY -0.00326 0.00331 -0.00068 -0.00331 -0.01030 180 8PZ 0.00326 -0.00331 -0.00331 -0.00068 0.01030 181 9D 0 0.00000 -0.00006 -0.00006 -0.00013 0.00015 182 9D+1 0.00061 -0.00019 -0.00009 0.00019 0.00045 183 9D-1 0.00061 -0.00009 -0.00019 0.00019 0.00019 184 9D+2 0.00000 0.00011 -0.00011 0.00000 -0.00027 185 9D-2 -0.00061 0.00019 0.00019 -0.00009 -0.00045 11 12 13 14 15 11 8PY 1.57886 12 8PZ 0.00000 1.57886 13 9PX 0.00000 0.00000 0.13430 14 9PY 0.45659 0.00000 0.00000 0.13430 15 9PZ 0.00000 0.45659 0.00000 0.00000 0.13430 16 10PX 0.00000 0.00000 0.00048 0.00000 0.00000 17 10PY -0.03644 0.00000 0.00000 0.00048 0.00000 18 10PZ 0.00000 -0.03644 0.00000 0.00000 0.00048 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.04039 0.00000 0.00000 0.01237 0.00000 21 11D-1 0.00000 0.00000 0.01237 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.04039 0.00000 0.00000 0.01237 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.02351 0.00000 0.00000 0.00763 0.00000 26 12D-1 0.00000 0.00000 0.00763 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.02351 0.00000 0.00000 0.00763 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.01510 0.00000 0.00000 0.00528 0.00000 31 13D-1 0.00000 0.00000 0.00528 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.01510 0.00000 0.00000 0.00528 34 2 C 1S 0.01108 0.01108 0.00089 0.00089 0.00089 35 2S 0.02395 0.02395 0.00181 0.00181 0.00181 36 3S -0.03881 -0.03881 -0.00264 -0.00264 -0.00264 37 4S -0.06605 -0.06605 -0.00600 -0.00600 -0.00600 38 5S -0.03901 -0.03901 -0.00620 -0.00620 -0.00620 39 6PX 0.03013 0.03013 0.00126 0.00276 0.00276 40 6PY 0.01250 0.03013 0.00276 0.00126 0.00276 41 6PZ 0.03013 0.01250 0.00276 0.00276 0.00126 42 7PX 0.01942 0.01942 -0.00010 0.00159 0.00159 43 7PY 0.00328 0.01942 0.00159 -0.00010 0.00159 44 7PZ 0.01942 0.00328 0.00159 0.00159 -0.00010 45 8PX 0.00591 0.00591 -0.00123 0.00153 0.00153 46 8PY -0.00974 0.00591 0.00153 -0.00123 0.00153 47 8PZ 0.00591 -0.00974 0.00153 0.00153 -0.00123 48 9D 0 -0.00040 0.00080 -0.00010 -0.00010 0.00019 49 9D+1 0.00212 0.00271 0.00062 0.00053 0.00062 50 9D-1 0.00271 0.00271 0.00053 0.00062 0.00062 51 9D+2 -0.00069 0.00000 0.00016 -0.00016 0.00000 52 9D-2 0.00271 0.00212 0.00062 0.00062 0.00053 53 3 C 1S -0.01108 0.01108 -0.00089 -0.00089 0.00089 54 2S -0.02395 0.02395 -0.00181 -0.00181 0.00181 55 3S 0.03881 -0.03881 0.00264 0.00264 -0.00264 56 4S 0.06605 -0.06605 0.00600 0.00600 -0.00600 57 5S 0.03901 -0.03901 0.00620 0.00620 -0.00620 58 6PX 0.03013 -0.03013 0.00126 0.00276 -0.00276 59 6PY 0.01250 -0.03013 0.00276 0.00126 -0.00276 60 6PZ -0.03013 0.01250 -0.00276 -0.00276 0.00126 61 7PX 0.01942 -0.01942 -0.00010 0.00159 -0.00159 62 7PY 0.00328 -0.01942 0.00159 -0.00010 -0.00159 63 7PZ -0.01942 0.00328 -0.00159 -0.00159 -0.00010 64 8PX 0.00591 -0.00591 -0.00123 0.00153 -0.00153 65 8PY -0.00974 -0.00591 0.00153 -0.00123 -0.00153 66 8PZ -0.00591 -0.00974 -0.00153 -0.00153 -0.00123 67 9D 0 0.00040 0.00080 0.00010 0.00010 0.00019 68 9D+1 0.00212 -0.00271 0.00062 0.00053 -0.00062 69 9D-1 0.00271 -0.00271 0.00053 0.00062 -0.00062 70 9D+2 0.00069 0.00000 -0.00016 0.00016 0.00000 71 9D-2 -0.00271 0.00212 -0.00062 -0.00062 0.00053 72 4 C 1S 0.01108 -0.01108 -0.00089 0.00089 -0.00089 73 2S 0.02395 -0.02395 -0.00181 0.00181 -0.00181 74 3S -0.03881 0.03881 0.00264 -0.00264 0.00264 75 4S -0.06605 0.06605 0.00600 -0.00600 0.00600 76 5S -0.03901 0.03901 0.00620 -0.00620 0.00620 77 6PX -0.03013 0.03013 0.00126 -0.00276 0.00276 78 6PY 0.01250 -0.03013 -0.00276 0.00126 -0.00276 79 6PZ -0.03013 0.01250 0.00276 -0.00276 0.00126 80 7PX -0.01942 0.01942 -0.00010 -0.00159 0.00159 81 7PY 0.00328 -0.01942 -0.00159 -0.00010 -0.00159 82 7PZ -0.01942 0.00328 0.00159 -0.00159 -0.00010 83 8PX -0.00591 0.00591 -0.00123 -0.00153 0.00153 84 8PY -0.00974 -0.00591 -0.00153 -0.00123 -0.00153 85 8PZ -0.00591 -0.00974 0.00153 -0.00153 -0.00123 86 9D 0 -0.00040 -0.00080 0.00010 -0.00010 -0.00019 87 9D+1 0.00212 -0.00271 -0.00062 0.00053 -0.00062 88 9D-1 -0.00271 0.00271 0.00053 -0.00062 0.00062 89 9D+2 -0.00069 0.00000 -0.00016 -0.00016 0.00000 90 9D-2 -0.00271 0.00212 0.00062 -0.00062 0.00053 91 5 C 1S -0.01108 -0.01108 0.00089 -0.00089 -0.00089 92 2S -0.02395 -0.02395 0.00181 -0.00181 -0.00181 93 3S 0.03881 0.03881 -0.00264 0.00264 0.00264 94 4S 0.06605 0.06605 -0.00600 0.00600 0.00600 95 5S 0.03901 0.03901 -0.00620 0.00620 0.00620 96 6PX -0.03013 -0.03013 0.00126 -0.00276 -0.00276 97 6PY 0.01250 0.03013 -0.00276 0.00126 0.00276 98 6PZ 0.03013 0.01250 -0.00276 0.00276 0.00126 99 7PX -0.01942 -0.01942 -0.00010 -0.00159 -0.00159 100 7PY 0.00328 0.01942 -0.00159 -0.00010 0.00159 101 7PZ 0.01942 0.00328 -0.00159 0.00159 -0.00010 102 8PX -0.00591 -0.00591 -0.00123 -0.00153 -0.00153 103 8PY -0.00974 0.00591 -0.00153 -0.00123 0.00153 104 8PZ 0.00591 -0.00974 -0.00153 0.00153 -0.00123 105 9D 0 0.00040 -0.00080 -0.00010 0.00010 -0.00019 106 9D+1 0.00212 0.00271 -0.00062 0.00053 0.00062 107 9D-1 -0.00271 -0.00271 0.00053 -0.00062 -0.00062 108 9D+2 0.00069 0.00000 0.00016 0.00016 0.00000 109 9D-2 0.00271 0.00212 -0.00062 0.00062 0.00053 110 6 O 1S -0.00226 -0.00226 -0.00019 -0.00019 -0.00019 111 2S -0.00539 -0.00539 -0.00049 -0.00049 -0.00049 112 3S 0.00936 0.00936 0.00098 0.00098 0.00098 113 4S 0.01084 0.01084 0.00114 0.00114 0.00114 114 5S 0.01699 0.01699 0.00194 0.00194 0.00194 115 6PX -0.01266 -0.01266 0.00067 -0.00268 -0.00268 116 6PY -0.00553 -0.01266 -0.00268 0.00067 -0.00268 117 6PZ -0.01266 -0.00553 -0.00268 -0.00268 0.00067 118 7PX -0.01000 -0.01000 0.00070 -0.00210 -0.00210 119 7PY -0.00386 -0.01000 -0.00210 0.00070 -0.00210 120 7PZ -0.01000 -0.00386 -0.00210 -0.00210 0.00070 121 8PX -0.01030 -0.01030 0.00108 -0.00210 -0.00210 122 8PY 0.00177 -0.01030 -0.00210 0.00108 -0.00210 123 8PZ -0.01030 0.00177 -0.00210 -0.00210 0.00108 124 9D 0 -0.00015 0.00031 0.00004 0.00004 -0.00007 125 9D+1 0.00019 0.00045 0.00002 0.00008 0.00002 126 9D-1 0.00045 0.00045 0.00008 0.00002 0.00002 127 9D+2 -0.00027 0.00000 -0.00006 0.00006 0.00000 128 9D-2 0.00045 0.00019 0.00002 0.00002 0.00008 129 7 O 1S -0.00226 0.00226 0.00019 -0.00019 0.00019 130 2S -0.00539 0.00539 0.00049 -0.00049 0.00049 131 3S 0.00936 -0.00936 -0.00098 0.00098 -0.00098 132 4S 0.01084 -0.01084 -0.00114 0.00114 -0.00114 133 5S 0.01699 -0.01699 -0.00194 0.00194 -0.00194 134 6PX 0.01266 -0.01266 0.00067 0.00268 -0.00268 135 6PY -0.00553 0.01266 0.00268 0.00067 0.00268 136 6PZ 0.01266 -0.00553 -0.00268 0.00268 0.00067 137 7PX 0.01000 -0.01000 0.00070 0.00210 -0.00210 138 7PY -0.00386 0.01000 0.00210 0.00070 0.00210 139 7PZ 0.01000 -0.00386 -0.00210 0.00210 0.00070 140 8PX 0.01030 -0.01030 0.00108 0.00210 -0.00210 141 8PY 0.00177 0.01030 0.00210 0.00108 0.00210 142 8PZ 0.01030 0.00177 -0.00210 0.00210 0.00108 143 9D 0 -0.00015 -0.00031 -0.00004 0.00004 0.00007 144 9D+1 0.00019 -0.00045 -0.00002 0.00008 -0.00002 145 9D-1 -0.00045 0.00045 0.00008 -0.00002 0.00002 146 9D+2 -0.00027 0.00000 0.00006 0.00006 0.00000 147 9D-2 -0.00045 0.00019 0.00002 -0.00002 0.00008 148 8 O 1S 0.00226 0.00226 -0.00019 0.00019 0.00019 149 2S 0.00539 0.00539 -0.00049 0.00049 0.00049 150 3S -0.00936 -0.00936 0.00098 -0.00098 -0.00098 151 4S -0.01084 -0.01084 0.00114 -0.00114 -0.00114 152 5S -0.01699 -0.01699 0.00194 -0.00194 -0.00194 153 6PX 0.01266 0.01266 0.00067 0.00268 0.00268 154 6PY -0.00553 -0.01266 0.00268 0.00067 -0.00268 155 6PZ -0.01266 -0.00553 0.00268 -0.00268 0.00067 156 7PX 0.01000 0.01000 0.00070 0.00210 0.00210 157 7PY -0.00386 -0.01000 0.00210 0.00070 -0.00210 158 7PZ -0.01000 -0.00386 0.00210 -0.00210 0.00070 159 8PX 0.01030 0.01030 0.00108 0.00210 0.00210 160 8PY 0.00177 -0.01030 0.00210 0.00108 -0.00210 161 8PZ -0.01030 0.00177 0.00210 -0.00210 0.00108 162 9D 0 0.00015 -0.00031 0.00004 -0.00004 0.00007 163 9D+1 0.00019 0.00045 -0.00002 0.00008 0.00002 164 9D-1 -0.00045 -0.00045 0.00008 -0.00002 -0.00002 165 9D+2 0.00027 0.00000 -0.00006 -0.00006 0.00000 166 9D-2 0.00045 0.00019 -0.00002 0.00002 0.00008 167 9 O 1S 0.00226 -0.00226 0.00019 0.00019 -0.00019 168 2S 0.00539 -0.00539 0.00049 0.00049 -0.00049 169 3S -0.00936 0.00936 -0.00098 -0.00098 0.00098 170 4S -0.01084 0.01084 -0.00114 -0.00114 0.00114 171 5S -0.01699 0.01699 -0.00194 -0.00194 0.00194 172 6PX -0.01266 0.01266 0.00067 -0.00268 0.00268 173 6PY -0.00553 0.01266 -0.00268 0.00067 0.00268 174 6PZ 0.01266 -0.00553 0.00268 0.00268 0.00067 175 7PX -0.01000 0.01000 0.00070 -0.00210 0.00210 176 7PY -0.00386 0.01000 -0.00210 0.00070 0.00210 177 7PZ 0.01000 -0.00386 0.00210 0.00210 0.00070 178 8PX -0.01030 0.01030 0.00108 -0.00210 0.00210 179 8PY 0.00177 0.01030 -0.00210 0.00108 0.00210 180 8PZ 0.01030 0.00177 0.00210 0.00210 0.00108 181 9D 0 0.00015 0.00031 -0.00004 -0.00004 -0.00007 182 9D+1 0.00019 -0.00045 0.00002 0.00008 -0.00002 183 9D-1 0.00045 -0.00045 0.00008 0.00002 -0.00002 184 9D+2 0.00027 0.00000 0.00006 -0.00006 0.00000 185 9D-2 -0.00045 0.00019 -0.00002 -0.00002 0.00008 16 17 18 19 20 16 10PX 0.11849 17 10PY 0.00000 0.11849 18 10PZ 0.00000 0.00000 0.11849 19 11D 0 0.00000 0.00000 0.00000 0.63402 20 11D+1 0.00000 -0.14319 0.00000 0.00000 0.60409 21 11D-1 -0.14319 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 -0.14319 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.38900 0.00000 25 12D+1 0.00000 -0.08660 0.00000 0.00000 0.37515 26 12D-1 -0.08660 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 -0.08660 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.30855 0.00000 30 13D+1 0.00000 -0.06030 0.00000 0.00000 0.28217 31 13D-1 -0.06030 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 -0.06030 0.00000 0.00000 34 2 C 1S -0.01158 -0.01158 -0.01158 0.00000 -0.00385 35 2S -0.02514 -0.02514 -0.02514 0.00000 -0.00822 36 3S 0.03915 0.03915 0.03915 0.00000 0.01538 37 4S 0.07509 0.07509 0.07509 0.00000 0.00999 38 5S 0.04201 0.04201 0.04201 0.00000 -0.02734 39 6PX -0.02308 -0.04474 -0.04474 -0.02186 0.00959 40 6PY -0.04474 -0.02308 -0.04474 -0.02186 -0.05788 41 6PZ -0.04474 -0.04474 -0.02308 0.04373 0.00959 42 7PX -0.00721 -0.02786 -0.02786 -0.02240 0.01353 43 7PY -0.02786 -0.00721 -0.02786 -0.02240 -0.04955 44 7PZ -0.02786 -0.02786 -0.00721 0.04479 0.01353 45 8PX 0.02651 -0.00046 -0.00046 -0.02333 0.00868 46 8PY -0.00046 0.02651 -0.00046 -0.02333 -0.07007 47 8PZ -0.00046 -0.00046 0.02651 0.04667 0.00868 48 9D 0 0.00250 0.00250 -0.00500 -0.00967 -0.00539 49 9D+1 -0.00465 -0.00090 -0.00465 -0.00406 0.00150 50 9D-1 -0.00090 -0.00465 -0.00465 -0.00406 0.00732 51 9D+2 -0.00433 0.00433 0.00000 0.00000 -0.00934 52 9D-2 -0.00465 -0.00465 -0.00090 0.00812 0.00732 53 3 C 1S 0.01158 0.01158 -0.01158 0.00000 0.00385 54 2S 0.02514 0.02514 -0.02514 0.00000 0.00822 55 3S -0.03915 -0.03915 0.03915 0.00000 -0.01538 56 4S -0.07509 -0.07509 0.07509 0.00000 -0.00999 57 5S -0.04201 -0.04201 0.04201 0.00000 0.02734 58 6PX -0.02308 -0.04474 0.04474 0.02186 0.00959 59 6PY -0.04474 -0.02308 0.04474 0.02186 -0.05788 60 6PZ 0.04474 0.04474 -0.02308 0.04373 -0.00959 61 7PX -0.00721 -0.02786 0.02786 0.02240 0.01353 62 7PY -0.02786 -0.00721 0.02786 0.02240 -0.04955 63 7PZ 0.02786 0.02786 -0.00721 0.04479 -0.01353 64 8PX 0.02651 -0.00046 0.00046 0.02333 0.00868 65 8PY -0.00046 0.02651 0.00046 0.02333 -0.07007 66 8PZ 0.00046 0.00046 0.02651 0.04667 -0.00868 67 9D 0 -0.00250 -0.00250 -0.00500 -0.00967 0.00539 68 9D+1 -0.00465 -0.00090 0.00465 0.00406 0.00150 69 9D-1 -0.00090 -0.00465 0.00465 0.00406 0.00732 70 9D+2 0.00433 -0.00433 0.00000 0.00000 0.00934 71 9D-2 0.00465 0.00465 -0.00090 0.00812 -0.00732 72 4 C 1S 0.01158 -0.01158 0.01158 0.00000 -0.00385 73 2S 0.02514 -0.02514 0.02514 0.00000 -0.00822 74 3S -0.03915 0.03915 -0.03915 0.00000 0.01538 75 4S -0.07509 0.07509 -0.07509 0.00000 0.00999 76 5S -0.04201 0.04201 -0.04201 0.00000 -0.02734 77 6PX -0.02308 0.04474 -0.04474 0.02186 -0.00959 78 6PY 0.04474 -0.02308 0.04474 -0.02186 -0.05788 79 6PZ -0.04474 0.04474 -0.02308 -0.04373 -0.00959 80 7PX -0.00721 0.02786 -0.02786 0.02240 -0.01353 81 7PY 0.02786 -0.00721 0.02786 -0.02240 -0.04955 82 7PZ -0.02786 0.02786 -0.00721 -0.04479 -0.01353 83 8PX 0.02651 0.00046 -0.00046 0.02333 -0.00868 84 8PY 0.00046 0.02651 0.00046 -0.02333 -0.07007 85 8PZ -0.00046 0.00046 0.02651 -0.04667 -0.00868 86 9D 0 -0.00250 0.00250 0.00500 -0.00967 -0.00539 87 9D+1 0.00465 -0.00090 0.00465 -0.00406 0.00150 88 9D-1 -0.00090 0.00465 -0.00465 0.00406 -0.00732 89 9D+2 0.00433 0.00433 0.00000 0.00000 -0.00934 90 9D-2 -0.00465 0.00465 -0.00090 -0.00812 -0.00732 91 5 C 1S -0.01158 0.01158 0.01158 0.00000 0.00385 92 2S -0.02514 0.02514 0.02514 0.00000 0.00822 93 3S 0.03915 -0.03915 -0.03915 0.00000 -0.01538 94 4S 0.07509 -0.07509 -0.07509 0.00000 -0.00999 95 5S 0.04201 -0.04201 -0.04201 0.00000 0.02734 96 6PX -0.02308 0.04474 0.04474 -0.02186 -0.00959 97 6PY 0.04474 -0.02308 -0.04474 0.02186 -0.05788 98 6PZ 0.04474 -0.04474 -0.02308 -0.04373 0.00959 99 7PX -0.00721 0.02786 0.02786 -0.02240 -0.01353 100 7PY 0.02786 -0.00721 -0.02786 0.02240 -0.04955 101 7PZ 0.02786 -0.02786 -0.00721 -0.04479 0.01353 102 8PX 0.02651 0.00046 0.00046 -0.02333 -0.00868 103 8PY 0.00046 0.02651 -0.00046 0.02333 -0.07007 104 8PZ 0.00046 -0.00046 0.02651 -0.04667 0.00868 105 9D 0 0.00250 -0.00250 0.00500 -0.00967 0.00539 106 9D+1 0.00465 -0.00090 -0.00465 0.00406 0.00150 107 9D-1 -0.00090 0.00465 0.00465 -0.00406 -0.00732 108 9D+2 -0.00433 -0.00433 0.00000 0.00000 0.00934 109 9D-2 0.00465 -0.00465 -0.00090 -0.00812 0.00732 110 6 O 1S 0.00393 0.00393 0.00393 0.00000 -0.00128 111 2S 0.00902 0.00902 0.00902 0.00000 -0.00312 112 3S -0.01470 -0.01470 -0.01470 0.00000 0.00639 113 4S -0.01313 -0.01313 -0.01313 0.00000 0.00369 114 5S -0.02279 -0.02279 -0.02279 0.00000 0.03672 115 6PX -0.00358 0.03808 0.03808 0.02275 -0.02363 116 6PY 0.03808 -0.00358 0.03808 0.02275 0.04596 117 6PZ 0.03808 0.03808 -0.00358 -0.04550 -0.02363 118 7PX -0.00487 0.02975 0.02975 0.01849 -0.01933 119 7PY 0.02975 -0.00487 0.02975 0.01849 0.03727 120 7PZ 0.02975 0.02975 -0.00487 -0.03698 -0.01933 121 8PX -0.01382 0.02189 0.02189 0.02564 -0.02868 122 8PY 0.02189 -0.01382 0.02189 0.02564 0.04898 123 8PZ 0.02189 0.02189 -0.01382 -0.05128 -0.02868 124 9D 0 -0.00018 -0.00018 0.00036 -0.00010 -0.00019 125 9D+1 -0.00116 -0.00148 -0.00116 -0.00006 -0.00092 126 9D-1 -0.00148 -0.00116 -0.00116 -0.00006 -0.00061 127 9D+2 0.00031 -0.00031 0.00000 0.00000 -0.00033 128 9D-2 -0.00116 -0.00116 -0.00148 0.00011 -0.00061 129 7 O 1S -0.00393 0.00393 -0.00393 0.00000 -0.00128 130 2S -0.00902 0.00902 -0.00902 0.00000 -0.00312 131 3S 0.01470 -0.01470 0.01470 0.00000 0.00639 132 4S 0.01313 -0.01313 0.01313 0.00000 0.00369 133 5S 0.02279 -0.02279 0.02279 0.00000 0.03672 134 6PX -0.00358 -0.03808 0.03808 -0.02275 0.02363 135 6PY -0.03808 -0.00358 -0.03808 0.02275 0.04596 136 6PZ 0.03808 -0.03808 -0.00358 0.04550 0.02363 137 7PX -0.00487 -0.02975 0.02975 -0.01849 0.01933 138 7PY -0.02975 -0.00487 -0.02975 0.01849 0.03727 139 7PZ 0.02975 -0.02975 -0.00487 0.03698 0.01933 140 8PX -0.01382 -0.02189 0.02189 -0.02564 0.02868 141 8PY -0.02189 -0.01382 -0.02189 0.02564 0.04898 142 8PZ 0.02189 -0.02189 -0.01382 0.05128 0.02868 143 9D 0 0.00018 -0.00018 -0.00036 -0.00010 -0.00019 144 9D+1 0.00116 -0.00148 0.00116 -0.00006 -0.00092 145 9D-1 -0.00148 0.00116 -0.00116 0.00006 0.00061 146 9D+2 -0.00031 -0.00031 0.00000 0.00000 -0.00033 147 9D-2 -0.00116 0.00116 -0.00148 -0.00011 0.00061 148 8 O 1S 0.00393 -0.00393 -0.00393 0.00000 0.00128 149 2S 0.00902 -0.00902 -0.00902 0.00000 0.00312 150 3S -0.01470 0.01470 0.01470 0.00000 -0.00639 151 4S -0.01313 0.01313 0.01313 0.00000 -0.00369 152 5S -0.02279 0.02279 0.02279 0.00000 -0.03672 153 6PX -0.00358 -0.03808 -0.03808 0.02275 0.02363 154 6PY -0.03808 -0.00358 0.03808 -0.02275 0.04596 155 6PZ -0.03808 0.03808 -0.00358 0.04550 -0.02363 156 7PX -0.00487 -0.02975 -0.02975 0.01849 0.01933 157 7PY -0.02975 -0.00487 0.02975 -0.01849 0.03727 158 7PZ -0.02975 0.02975 -0.00487 0.03698 -0.01933 159 8PX -0.01382 -0.02189 -0.02189 0.02564 0.02868 160 8PY -0.02189 -0.01382 0.02189 -0.02564 0.04898 161 8PZ -0.02189 0.02189 -0.01382 0.05128 -0.02868 162 9D 0 -0.00018 0.00018 -0.00036 -0.00010 0.00019 163 9D+1 0.00116 -0.00148 -0.00116 0.00006 -0.00092 164 9D-1 -0.00148 0.00116 0.00116 -0.00006 0.00061 165 9D+2 0.00031 0.00031 0.00000 0.00000 0.00033 166 9D-2 0.00116 -0.00116 -0.00148 -0.00011 -0.00061 167 9 O 1S -0.00393 -0.00393 0.00393 0.00000 0.00128 168 2S -0.00902 -0.00902 0.00902 0.00000 0.00312 169 3S 0.01470 0.01470 -0.01470 0.00000 -0.00639 170 4S 0.01313 0.01313 -0.01313 0.00000 -0.00369 171 5S 0.02279 0.02279 -0.02279 0.00000 -0.03672 172 6PX -0.00358 0.03808 -0.03808 -0.02275 -0.02363 173 6PY 0.03808 -0.00358 -0.03808 -0.02275 0.04596 174 6PZ -0.03808 -0.03808 -0.00358 -0.04550 0.02363 175 7PX -0.00487 0.02975 -0.02975 -0.01849 -0.01933 176 7PY 0.02975 -0.00487 -0.02975 -0.01849 0.03727 177 7PZ -0.02975 -0.02975 -0.00487 -0.03698 0.01933 178 8PX -0.01382 0.02189 -0.02189 -0.02564 -0.02868 179 8PY 0.02189 -0.01382 -0.02189 -0.02564 0.04898 180 8PZ -0.02189 -0.02189 -0.01382 -0.05128 0.02868 181 9D 0 0.00018 0.00018 0.00036 -0.00010 0.00019 182 9D+1 -0.00116 -0.00148 0.00116 0.00006 -0.00092 183 9D-1 -0.00148 -0.00116 0.00116 0.00006 -0.00061 184 9D+2 -0.00031 0.00031 0.00000 0.00000 0.00033 185 9D-2 0.00116 0.00116 -0.00148 0.00011 0.00061 21 22 23 24 25 21 11D-1 0.60409 22 11D+2 0.00000 0.63402 23 11D-2 0.00000 0.00000 0.60409 24 12D 0 0.00000 0.00000 0.00000 0.23868 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.23308 26 12D-1 0.37515 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.38900 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.37515 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.18931 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.17532 31 13D-1 0.28217 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.30855 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.28217 0.00000 0.00000 34 2 C 1S -0.00385 0.00000 -0.00385 0.00000 -0.00301 35 2S -0.00822 0.00000 -0.00822 0.00000 -0.00653 36 3S 0.01538 0.00000 0.01538 0.00000 0.01212 37 4S 0.00999 0.00000 0.00999 0.00000 0.00952 38 5S -0.02734 0.00000 -0.02734 0.00000 -0.01580 39 6PX -0.05788 0.03787 0.00959 -0.01362 0.00509 40 6PY 0.00959 -0.03787 0.00959 -0.01362 -0.03638 41 6PZ 0.00959 0.00000 -0.05788 0.02725 0.00509 42 7PX -0.04955 0.03879 0.01353 -0.01390 0.00772 43 7PY 0.01353 -0.03879 0.01353 -0.01390 -0.03106 44 7PZ 0.01353 0.00000 -0.04955 0.02780 0.00772 45 8PX -0.07007 0.04042 0.00868 -0.01436 0.00533 46 8PY 0.00868 -0.04042 0.00868 -0.01436 -0.04327 47 8PZ 0.00868 0.00000 -0.07007 0.02872 0.00533 48 9D 0 -0.00539 0.00000 0.01078 -0.00586 -0.00332 49 9D+1 0.00732 -0.00704 0.00732 -0.00247 0.00098 50 9D-1 0.00150 0.00704 0.00732 -0.00247 0.00454 51 9D+2 0.00934 -0.00967 0.00000 0.00000 -0.00576 52 9D-2 0.00732 0.00000 0.00150 0.00495 0.00454 53 3 C 1S 0.00385 0.00000 -0.00385 0.00000 0.00301 54 2S 0.00822 0.00000 -0.00822 0.00000 0.00653 55 3S -0.01538 0.00000 0.01538 0.00000 -0.01212 56 4S -0.00999 0.00000 0.00999 0.00000 -0.00952 57 5S 0.02734 0.00000 -0.02734 0.00000 0.01580 58 6PX -0.05788 -0.03787 -0.00959 0.01362 0.00509 59 6PY 0.00959 0.03787 -0.00959 0.01362 -0.03638 60 6PZ -0.00959 0.00000 -0.05788 0.02725 -0.00509 61 7PX -0.04955 -0.03879 -0.01353 0.01390 0.00772 62 7PY 0.01353 0.03879 -0.01353 0.01390 -0.03106 63 7PZ -0.01353 0.00000 -0.04955 0.02780 -0.00772 64 8PX -0.07007 -0.04042 -0.00868 0.01436 0.00533 65 8PY 0.00868 0.04042 -0.00868 0.01436 -0.04327 66 8PZ -0.00868 0.00000 -0.07007 0.02872 -0.00533 67 9D 0 0.00539 0.00000 0.01078 -0.00586 0.00332 68 9D+1 0.00732 0.00704 -0.00732 0.00247 0.00098 69 9D-1 0.00150 -0.00704 -0.00732 0.00247 0.00454 70 9D+2 -0.00934 -0.00967 0.00000 0.00000 0.00576 71 9D-2 -0.00732 0.00000 0.00150 0.00495 -0.00454 72 4 C 1S 0.00385 0.00000 0.00385 0.00000 -0.00301 73 2S 0.00822 0.00000 0.00822 0.00000 -0.00653 74 3S -0.01538 0.00000 -0.01538 0.00000 0.01212 75 4S -0.00999 0.00000 -0.00999 0.00000 0.00952 76 5S 0.02734 0.00000 0.02734 0.00000 -0.01580 77 6PX -0.05788 -0.03787 0.00959 0.01362 -0.00509 78 6PY -0.00959 -0.03787 -0.00959 -0.01362 -0.03638 79 6PZ 0.00959 0.00000 -0.05788 -0.02725 -0.00509 80 7PX -0.04955 -0.03879 0.01353 0.01390 -0.00772 81 7PY -0.01353 -0.03879 -0.01353 -0.01390 -0.03106 82 7PZ 0.01353 0.00000 -0.04955 -0.02780 -0.00772 83 8PX -0.07007 -0.04042 0.00868 0.01436 -0.00533 84 8PY -0.00868 -0.04042 -0.00868 -0.01436 -0.04327 85 8PZ 0.00868 0.00000 -0.07007 -0.02872 -0.00533 86 9D 0 0.00539 0.00000 -0.01078 -0.00586 -0.00332 87 9D+1 -0.00732 -0.00704 -0.00732 -0.00247 0.00098 88 9D-1 0.00150 -0.00704 0.00732 0.00247 -0.00454 89 9D+2 -0.00934 -0.00967 0.00000 0.00000 -0.00576 90 9D-2 0.00732 0.00000 0.00150 -0.00495 -0.00454 91 5 C 1S -0.00385 0.00000 0.00385 0.00000 0.00301 92 2S -0.00822 0.00000 0.00822 0.00000 0.00653 93 3S 0.01538 0.00000 -0.01538 0.00000 -0.01212 94 4S 0.00999 0.00000 -0.00999 0.00000 -0.00952 95 5S -0.02734 0.00000 0.02734 0.00000 0.01580 96 6PX -0.05788 0.03787 -0.00959 -0.01362 -0.00509 97 6PY -0.00959 0.03787 0.00959 0.01362 -0.03638 98 6PZ -0.00959 0.00000 -0.05788 -0.02725 0.00509 99 7PX -0.04955 0.03879 -0.01353 -0.01390 -0.00772 100 7PY -0.01353 0.03879 0.01353 0.01390 -0.03106 101 7PZ -0.01353 0.00000 -0.04955 -0.02780 0.00772 102 8PX -0.07007 0.04042 -0.00868 -0.01436 -0.00533 103 8PY -0.00868 0.04042 0.00868 0.01436 -0.04327 104 8PZ -0.00868 0.00000 -0.07007 -0.02872 0.00533 105 9D 0 -0.00539 0.00000 -0.01078 -0.00586 0.00332 106 9D+1 -0.00732 0.00704 0.00732 0.00247 0.00098 107 9D-1 0.00150 0.00704 -0.00732 -0.00247 -0.00454 108 9D+2 0.00934 -0.00967 0.00000 0.00000 0.00576 109 9D-2 -0.00732 0.00000 0.00150 -0.00495 0.00454 110 6 O 1S -0.00128 0.00000 -0.00128 0.00000 -0.00088 111 2S -0.00312 0.00000 -0.00312 0.00000 -0.00206 112 3S 0.00639 0.00000 0.00639 0.00000 0.00388 113 4S 0.00369 0.00000 0.00369 0.00000 0.00210 114 5S 0.03672 0.00000 0.03672 0.00000 0.02201 115 6PX 0.04596 -0.03941 -0.02363 0.01361 -0.01476 116 6PY -0.02363 0.03941 -0.02363 0.01361 0.02813 117 6PZ -0.02363 0.00000 0.04596 -0.02721 -0.01476 118 7PX 0.03727 -0.03203 -0.01933 0.01105 -0.01201 119 7PY -0.01933 0.03203 -0.01933 0.01105 0.02285 120 7PZ -0.01933 0.00000 0.03727 -0.02211 -0.01201 121 8PX 0.04898 -0.04441 -0.02868 0.01557 -0.01764 122 8PY -0.02868 0.04441 -0.02868 0.01557 0.03024 123 8PZ -0.02868 0.00000 0.04898 -0.03115 -0.01764 124 9D 0 -0.00019 0.00000 0.00038 -0.00011 -0.00012 125 9D+1 -0.00061 -0.00010 -0.00061 -0.00005 -0.00054 126 9D-1 -0.00092 0.00010 -0.00061 -0.00005 -0.00036 127 9D+2 0.00033 -0.00010 0.00000 0.00000 -0.00020 128 9D-2 -0.00061 0.00000 -0.00092 0.00010 -0.00036 129 7 O 1S 0.00128 0.00000 0.00128 0.00000 -0.00088 130 2S 0.00312 0.00000 0.00312 0.00000 -0.00206 131 3S -0.00639 0.00000 -0.00639 0.00000 0.00388 132 4S -0.00369 0.00000 -0.00369 0.00000 0.00210 133 5S -0.03672 0.00000 -0.03672 0.00000 0.02201 134 6PX 0.04596 0.03941 -0.02363 -0.01361 0.01476 135 6PY 0.02363 0.03941 0.02363 0.01361 0.02813 136 6PZ -0.02363 0.00000 0.04596 0.02721 0.01476 137 7PX 0.03727 0.03203 -0.01933 -0.01105 0.01201 138 7PY 0.01933 0.03203 0.01933 0.01105 0.02285 139 7PZ -0.01933 0.00000 0.03727 0.02211 0.01201 140 8PX 0.04898 0.04441 -0.02868 -0.01557 0.01764 141 8PY 0.02868 0.04441 0.02868 0.01557 0.03024 142 8PZ -0.02868 0.00000 0.04898 0.03115 0.01764 143 9D 0 0.00019 0.00000 -0.00038 -0.00011 -0.00012 144 9D+1 0.00061 -0.00010 0.00061 -0.00005 -0.00054 145 9D-1 -0.00092 -0.00010 -0.00061 0.00005 0.00036 146 9D+2 -0.00033 -0.00010 0.00000 0.00000 -0.00020 147 9D-2 -0.00061 0.00000 -0.00092 -0.00010 0.00036 148 8 O 1S -0.00128 0.00000 0.00128 0.00000 0.00088 149 2S -0.00312 0.00000 0.00312 0.00000 0.00206 150 3S 0.00639 0.00000 -0.00639 0.00000 -0.00388 151 4S 0.00369 0.00000 -0.00369 0.00000 -0.00210 152 5S 0.03672 0.00000 -0.03672 0.00000 -0.02201 153 6PX 0.04596 -0.03941 0.02363 0.01361 0.01476 154 6PY 0.02363 -0.03941 -0.02363 -0.01361 0.02813 155 6PZ 0.02363 0.00000 0.04596 0.02721 -0.01476 156 7PX 0.03727 -0.03203 0.01933 0.01105 0.01201 157 7PY 0.01933 -0.03203 -0.01933 -0.01105 0.02285 158 7PZ 0.01933 0.00000 0.03727 0.02211 -0.01201 159 8PX 0.04898 -0.04441 0.02868 0.01557 0.01764 160 8PY 0.02868 -0.04441 -0.02868 -0.01557 0.03024 161 8PZ 0.02868 0.00000 0.04898 0.03115 -0.01764 162 9D 0 -0.00019 0.00000 -0.00038 -0.00011 0.00012 163 9D+1 0.00061 0.00010 -0.00061 0.00005 -0.00054 164 9D-1 -0.00092 0.00010 0.00061 -0.00005 0.00036 165 9D+2 0.00033 -0.00010 0.00000 0.00000 0.00020 166 9D-2 0.00061 0.00000 -0.00092 -0.00010 -0.00036 167 9 O 1S 0.00128 0.00000 -0.00128 0.00000 0.00088 168 2S 0.00312 0.00000 -0.00312 0.00000 0.00206 169 3S -0.00639 0.00000 0.00639 0.00000 -0.00388 170 4S -0.00369 0.00000 0.00369 0.00000 -0.00210 171 5S -0.03672 0.00000 0.03672 0.00000 -0.02201 172 6PX 0.04596 0.03941 0.02363 -0.01361 -0.01476 173 6PY -0.02363 -0.03941 0.02363 -0.01361 0.02813 174 6PZ 0.02363 0.00000 0.04596 -0.02721 0.01476 175 7PX 0.03727 0.03203 0.01933 -0.01105 -0.01201 176 7PY -0.01933 -0.03203 0.01933 -0.01105 0.02285 177 7PZ 0.01933 0.00000 0.03727 -0.02211 0.01201 178 8PX 0.04898 0.04441 0.02868 -0.01557 -0.01764 179 8PY -0.02868 -0.04441 0.02868 -0.01557 0.03024 180 8PZ 0.02868 0.00000 0.04898 -0.03115 0.01764 181 9D 0 0.00019 0.00000 0.00038 -0.00011 0.00012 182 9D+1 -0.00061 0.00010 0.00061 0.00005 -0.00054 183 9D-1 -0.00092 -0.00010 0.00061 0.00005 -0.00036 184 9D+2 -0.00033 -0.00010 0.00000 0.00000 0.00020 185 9D-2 0.00061 0.00000 -0.00092 0.00010 0.00036 26 27 28 29 30 26 12D-1 0.23308 27 12D+2 0.00000 0.23868 28 12D-2 0.00000 0.00000 0.23308 29 13D 0 0.00000 0.00000 0.00000 0.15016 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.13261 31 13D-1 0.17532 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.18931 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.17532 0.00000 0.00000 34 2 C 1S -0.00301 0.00000 -0.00301 0.00000 -0.00188 35 2S -0.00653 0.00000 -0.00653 0.00000 -0.00407 36 3S 0.01212 0.00000 0.01212 0.00000 0.00738 37 4S 0.00952 0.00000 0.00952 0.00000 0.00800 38 5S -0.01580 0.00000 -0.01580 0.00000 -0.01042 39 6PX -0.03638 0.02360 0.00509 -0.01065 0.00099 40 6PY 0.00509 -0.02360 0.00509 -0.01065 -0.03220 41 6PZ 0.00509 0.00000 -0.03638 0.02131 0.00099 42 7PX -0.03106 0.02408 0.00772 -0.01091 0.00491 43 7PY 0.00772 -0.02408 0.00772 -0.01091 -0.02577 44 7PZ 0.00772 0.00000 -0.03106 0.02182 0.00491 45 8PX -0.04327 0.02487 0.00533 -0.01136 0.00448 46 8PY 0.00533 -0.02487 0.00533 -0.01136 -0.03221 47 8PZ 0.00533 0.00000 -0.04327 0.02272 0.00448 48 9D 0 -0.00332 0.00000 0.00665 -0.00470 -0.00233 49 9D+1 0.00454 -0.00428 0.00454 -0.00198 0.00058 50 9D-1 0.00098 0.00428 0.00454 -0.00198 0.00295 51 9D+2 0.00576 -0.00586 0.00000 0.00000 -0.00403 52 9D-2 0.00454 0.00000 0.00098 0.00395 0.00295 53 3 C 1S 0.00301 0.00000 -0.00301 0.00000 0.00188 54 2S 0.00653 0.00000 -0.00653 0.00000 0.00407 55 3S -0.01212 0.00000 0.01212 0.00000 -0.00738 56 4S -0.00952 0.00000 0.00952 0.00000 -0.00800 57 5S 0.01580 0.00000 -0.01580 0.00000 0.01042 58 6PX -0.03638 -0.02360 -0.00509 0.01065 0.00099 59 6PY 0.00509 0.02360 -0.00509 0.01065 -0.03220 60 6PZ -0.00509 0.00000 -0.03638 0.02131 -0.00099 61 7PX -0.03106 -0.02408 -0.00772 0.01091 0.00491 62 7PY 0.00772 0.02408 -0.00772 0.01091 -0.02577 63 7PZ -0.00772 0.00000 -0.03106 0.02182 -0.00491 64 8PX -0.04327 -0.02487 -0.00533 0.01136 0.00448 65 8PY 0.00533 0.02487 -0.00533 0.01136 -0.03221 66 8PZ -0.00533 0.00000 -0.04327 0.02272 -0.00448 67 9D 0 0.00332 0.00000 0.00665 -0.00470 0.00233 68 9D+1 0.00454 0.00428 -0.00454 0.00198 0.00058 69 9D-1 0.00098 -0.00428 -0.00454 0.00198 0.00295 70 9D+2 -0.00576 -0.00586 0.00000 0.00000 0.00403 71 9D-2 -0.00454 0.00000 0.00098 0.00395 -0.00295 72 4 C 1S 0.00301 0.00000 0.00301 0.00000 -0.00188 73 2S 0.00653 0.00000 0.00653 0.00000 -0.00407 74 3S -0.01212 0.00000 -0.01212 0.00000 0.00738 75 4S -0.00952 0.00000 -0.00952 0.00000 0.00800 76 5S 0.01580 0.00000 0.01580 0.00000 -0.01042 77 6PX -0.03638 -0.02360 0.00509 0.01065 -0.00099 78 6PY -0.00509 -0.02360 -0.00509 -0.01065 -0.03220 79 6PZ 0.00509 0.00000 -0.03638 -0.02131 -0.00099 80 7PX -0.03106 -0.02408 0.00772 0.01091 -0.00491 81 7PY -0.00772 -0.02408 -0.00772 -0.01091 -0.02577 82 7PZ 0.00772 0.00000 -0.03106 -0.02182 -0.00491 83 8PX -0.04327 -0.02487 0.00533 0.01136 -0.00448 84 8PY -0.00533 -0.02487 -0.00533 -0.01136 -0.03221 85 8PZ 0.00533 0.00000 -0.04327 -0.02272 -0.00448 86 9D 0 0.00332 0.00000 -0.00665 -0.00470 -0.00233 87 9D+1 -0.00454 -0.00428 -0.00454 -0.00198 0.00058 88 9D-1 0.00098 -0.00428 0.00454 0.00198 -0.00295 89 9D+2 -0.00576 -0.00586 0.00000 0.00000 -0.00403 90 9D-2 0.00454 0.00000 0.00098 -0.00395 -0.00295 91 5 C 1S -0.00301 0.00000 0.00301 0.00000 0.00188 92 2S -0.00653 0.00000 0.00653 0.00000 0.00407 93 3S 0.01212 0.00000 -0.01212 0.00000 -0.00738 94 4S 0.00952 0.00000 -0.00952 0.00000 -0.00800 95 5S -0.01580 0.00000 0.01580 0.00000 0.01042 96 6PX -0.03638 0.02360 -0.00509 -0.01065 -0.00099 97 6PY -0.00509 0.02360 0.00509 0.01065 -0.03220 98 6PZ -0.00509 0.00000 -0.03638 -0.02131 0.00099 99 7PX -0.03106 0.02408 -0.00772 -0.01091 -0.00491 100 7PY -0.00772 0.02408 0.00772 0.01091 -0.02577 101 7PZ -0.00772 0.00000 -0.03106 -0.02182 0.00491 102 8PX -0.04327 0.02487 -0.00533 -0.01136 -0.00448 103 8PY -0.00533 0.02487 0.00533 0.01136 -0.03221 104 8PZ -0.00533 0.00000 -0.04327 -0.02272 0.00448 105 9D 0 -0.00332 0.00000 -0.00665 -0.00470 0.00233 106 9D+1 -0.00454 0.00428 0.00454 0.00198 0.00058 107 9D-1 0.00098 0.00428 -0.00454 -0.00198 -0.00295 108 9D+2 0.00576 -0.00586 0.00000 0.00000 0.00403 109 9D-2 -0.00454 0.00000 0.00098 -0.00395 0.00295 110 6 O 1S -0.00088 0.00000 -0.00088 0.00000 0.00052 111 2S -0.00206 0.00000 -0.00206 0.00000 0.00083 112 3S 0.00388 0.00000 0.00388 0.00000 0.00040 113 4S 0.00210 0.00000 0.00210 0.00000 -0.00095 114 5S 0.02201 0.00000 0.02201 0.00000 0.01635 115 6PX 0.02813 -0.02357 -0.01476 0.01105 -0.00578 116 6PY -0.01476 0.02357 -0.01476 0.01105 0.02155 117 6PZ -0.01476 0.00000 0.02813 -0.02210 -0.00578 118 7PX 0.02285 -0.01915 -0.01201 0.00898 -0.00502 119 7PY -0.01201 0.01915 -0.01201 0.00898 0.01710 120 7PZ -0.01201 0.00000 0.02285 -0.01796 -0.00502 121 8PX 0.03024 -0.02698 -0.01764 0.01247 -0.01145 122 8PY -0.01764 0.02698 -0.01764 0.01247 0.02215 123 8PZ -0.01764 0.00000 0.03024 -0.02493 -0.01145 124 9D 0 -0.00012 0.00000 0.00023 -0.00005 -0.00019 125 9D+1 -0.00036 -0.00008 -0.00036 -0.00003 -0.00079 126 9D-1 -0.00054 0.00008 -0.00036 -0.00003 -0.00048 127 9D+2 0.00020 -0.00011 0.00000 0.00000 -0.00032 128 9D-2 -0.00036 0.00000 -0.00054 0.00006 -0.00048 129 7 O 1S 0.00088 0.00000 0.00088 0.00000 0.00052 130 2S 0.00206 0.00000 0.00206 0.00000 0.00083 131 3S -0.00388 0.00000 -0.00388 0.00000 0.00040 132 4S -0.00210 0.00000 -0.00210 0.00000 -0.00095 133 5S -0.02201 0.00000 -0.02201 0.00000 0.01635 134 6PX 0.02813 0.02357 -0.01476 -0.01105 0.00578 135 6PY 0.01476 0.02357 0.01476 0.01105 0.02155 136 6PZ -0.01476 0.00000 0.02813 0.02210 0.00578 137 7PX 0.02285 0.01915 -0.01201 -0.00898 0.00502 138 7PY 0.01201 0.01915 0.01201 0.00898 0.01710 139 7PZ -0.01201 0.00000 0.02285 0.01796 0.00502 140 8PX 0.03024 0.02698 -0.01764 -0.01247 0.01145 141 8PY 0.01764 0.02698 0.01764 0.01247 0.02215 142 8PZ -0.01764 0.00000 0.03024 0.02493 0.01145 143 9D 0 0.00012 0.00000 -0.00023 -0.00005 -0.00019 144 9D+1 0.00036 -0.00008 0.00036 -0.00003 -0.00079 145 9D-1 -0.00054 -0.00008 -0.00036 0.00003 0.00048 146 9D+2 -0.00020 -0.00011 0.00000 0.00000 -0.00032 147 9D-2 -0.00036 0.00000 -0.00054 -0.00006 0.00048 148 8 O 1S -0.00088 0.00000 0.00088 0.00000 -0.00052 149 2S -0.00206 0.00000 0.00206 0.00000 -0.00083 150 3S 0.00388 0.00000 -0.00388 0.00000 -0.00040 151 4S 0.00210 0.00000 -0.00210 0.00000 0.00095 152 5S 0.02201 0.00000 -0.02201 0.00000 -0.01635 153 6PX 0.02813 -0.02357 0.01476 0.01105 0.00578 154 6PY 0.01476 -0.02357 -0.01476 -0.01105 0.02155 155 6PZ 0.01476 0.00000 0.02813 0.02210 -0.00578 156 7PX 0.02285 -0.01915 0.01201 0.00898 0.00502 157 7PY 0.01201 -0.01915 -0.01201 -0.00898 0.01710 158 7PZ 0.01201 0.00000 0.02285 0.01796 -0.00502 159 8PX 0.03024 -0.02698 0.01764 0.01247 0.01145 160 8PY 0.01764 -0.02698 -0.01764 -0.01247 0.02215 161 8PZ 0.01764 0.00000 0.03024 0.02493 -0.01145 162 9D 0 -0.00012 0.00000 -0.00023 -0.00005 0.00019 163 9D+1 0.00036 0.00008 -0.00036 0.00003 -0.00079 164 9D-1 -0.00054 0.00008 0.00036 -0.00003 0.00048 165 9D+2 0.00020 -0.00011 0.00000 0.00000 0.00032 166 9D-2 0.00036 0.00000 -0.00054 -0.00006 -0.00048 167 9 O 1S 0.00088 0.00000 -0.00088 0.00000 -0.00052 168 2S 0.00206 0.00000 -0.00206 0.00000 -0.00083 169 3S -0.00388 0.00000 0.00388 0.00000 -0.00040 170 4S -0.00210 0.00000 0.00210 0.00000 0.00095 171 5S -0.02201 0.00000 0.02201 0.00000 -0.01635 172 6PX 0.02813 0.02357 0.01476 -0.01105 -0.00578 173 6PY -0.01476 -0.02357 0.01476 -0.01105 0.02155 174 6PZ 0.01476 0.00000 0.02813 -0.02210 0.00578 175 7PX 0.02285 0.01915 0.01201 -0.00898 -0.00502 176 7PY -0.01201 -0.01915 0.01201 -0.00898 0.01710 177 7PZ 0.01201 0.00000 0.02285 -0.01796 0.00502 178 8PX 0.03024 0.02698 0.01764 -0.01247 -0.01145 179 8PY -0.01764 -0.02698 0.01764 -0.01247 0.02215 180 8PZ 0.01764 0.00000 0.03024 -0.02493 0.01145 181 9D 0 0.00012 0.00000 0.00023 -0.00005 0.00019 182 9D+1 -0.00036 0.00008 0.00036 0.00003 -0.00079 183 9D-1 -0.00054 -0.00008 0.00036 0.00003 -0.00048 184 9D+2 -0.00020 -0.00011 0.00000 0.00000 0.00032 185 9D-2 0.00036 0.00000 -0.00054 0.00006 0.00048 31 32 33 34 35 31 13D-1 0.13261 32 13D+2 0.00000 0.15016 33 13D-2 0.00000 0.00000 0.13261 34 2 C 1S -0.00188 0.00000 -0.00188 0.45853 35 2S -0.00407 0.00000 -0.00407 0.61728 0.84594 36 3S 0.00738 0.00000 0.00738 -0.04652 -0.12825 37 4S 0.00800 0.00000 0.00800 -0.11681 -0.22889 38 5S -0.01042 0.00000 -0.01042 -0.01277 -0.03665 39 6PX -0.03220 0.01845 0.00099 0.00688 0.01448 40 6PY 0.00099 -0.01845 0.00099 0.00688 0.01448 41 6PZ 0.00099 0.00000 -0.03220 0.00688 0.01448 42 7PX -0.02577 0.01890 0.00491 0.01059 0.02189 43 7PY 0.00491 -0.01890 0.00491 0.01059 0.02189 44 7PZ 0.00491 0.00000 -0.02577 0.01059 0.02189 45 8PX -0.03221 0.01967 0.00448 -0.00286 -0.00301 46 8PY 0.00448 -0.01967 0.00448 -0.00286 -0.00301 47 8PZ 0.00448 0.00000 -0.03221 -0.00286 -0.00301 48 9D 0 -0.00233 0.00000 0.00465 0.00000 0.00000 49 9D+1 0.00295 -0.00342 0.00295 -0.00103 -0.00311 50 9D-1 0.00058 0.00342 0.00295 -0.00103 -0.00311 51 9D+2 0.00403 -0.00470 0.00000 0.00000 0.00000 52 9D-2 0.00295 0.00000 0.00058 -0.00103 -0.00311 53 3 C 1S 0.00188 0.00000 -0.00188 -0.00073 -0.00166 54 2S 0.00407 0.00000 -0.00407 -0.00166 -0.00368 55 3S -0.00738 0.00000 0.00738 0.00321 0.00678 56 4S -0.00800 0.00000 0.00800 0.00392 0.00894 57 5S 0.01042 0.00000 -0.01042 0.00644 0.01271 58 6PX -0.03220 -0.01845 -0.00099 0.00051 0.00117 59 6PY 0.00099 0.01845 -0.00099 0.00051 0.00117 60 6PZ -0.00099 0.00000 -0.03220 -0.00358 -0.00771 61 7PX -0.02577 -0.01890 -0.00491 -0.00057 -0.00078 62 7PY 0.00491 0.01890 -0.00491 -0.00057 -0.00078 63 7PZ -0.00491 0.00000 -0.02577 -0.00261 -0.00580 64 8PX -0.03221 -0.01967 -0.00448 -0.00159 -0.00244 65 8PY 0.00448 0.01967 -0.00448 -0.00159 -0.00244 66 8PZ -0.00448 0.00000 -0.03221 -0.00215 -0.00445 67 9D 0 0.00233 0.00000 0.00465 0.00059 0.00125 68 9D+1 0.00295 0.00342 -0.00295 -0.00013 -0.00025 69 9D-1 0.00058 -0.00342 -0.00295 -0.00013 -0.00025 70 9D+2 -0.00403 -0.00470 0.00000 0.00000 0.00000 71 9D-2 -0.00295 0.00000 0.00058 -0.00061 -0.00127 72 4 C 1S 0.00188 0.00000 0.00188 -0.00073 -0.00166 73 2S 0.00407 0.00000 0.00407 -0.00166 -0.00368 74 3S -0.00738 0.00000 -0.00738 0.00321 0.00678 75 4S -0.00800 0.00000 -0.00800 0.00392 0.00894 76 5S 0.01042 0.00000 0.01042 0.00644 0.01271 77 6PX -0.03220 -0.01845 0.00099 0.00051 0.00117 78 6PY -0.00099 -0.01845 -0.00099 -0.00358 -0.00771 79 6PZ 0.00099 0.00000 -0.03220 0.00051 0.00117 80 7PX -0.02577 -0.01890 0.00491 -0.00057 -0.00078 81 7PY -0.00491 -0.01890 -0.00491 -0.00261 -0.00580 82 7PZ 0.00491 0.00000 -0.02577 -0.00057 -0.00078 83 8PX -0.03221 -0.01967 0.00448 -0.00159 -0.00244 84 8PY -0.00448 -0.01967 -0.00448 -0.00215 -0.00445 85 8PZ 0.00448 0.00000 -0.03221 -0.00159 -0.00244 86 9D 0 0.00233 0.00000 -0.00465 -0.00029 -0.00062 87 9D+1 -0.00295 -0.00342 -0.00295 -0.00061 -0.00127 88 9D-1 0.00058 -0.00342 0.00295 -0.00013 -0.00025 89 9D+2 -0.00403 -0.00470 0.00000 -0.00051 -0.00108 90 9D-2 0.00295 0.00000 0.00058 -0.00013 -0.00025 91 5 C 1S -0.00188 0.00000 0.00188 -0.00073 -0.00166 92 2S -0.00407 0.00000 0.00407 -0.00166 -0.00368 93 3S 0.00738 0.00000 -0.00738 0.00321 0.00678 94 4S 0.00800 0.00000 -0.00800 0.00392 0.00894 95 5S -0.01042 0.00000 0.01042 0.00644 0.01271 96 6PX -0.03220 0.01845 -0.00099 -0.00358 -0.00771 97 6PY -0.00099 0.01845 0.00099 0.00051 0.00117 98 6PZ -0.00099 0.00000 -0.03220 0.00051 0.00117 99 7PX -0.02577 0.01890 -0.00491 -0.00261 -0.00580 100 7PY -0.00491 0.01890 0.00491 -0.00057 -0.00078 101 7PZ -0.00491 0.00000 -0.02577 -0.00057 -0.00078 102 8PX -0.03221 0.01967 -0.00448 -0.00215 -0.00445 103 8PY -0.00448 0.01967 0.00448 -0.00159 -0.00244 104 8PZ -0.00448 0.00000 -0.03221 -0.00159 -0.00244 105 9D 0 -0.00233 0.00000 -0.00465 -0.00029 -0.00062 106 9D+1 -0.00295 0.00342 0.00295 -0.00013 -0.00025 107 9D-1 0.00058 0.00342 -0.00295 -0.00061 -0.00127 108 9D+2 0.00403 -0.00470 0.00000 0.00051 0.00108 109 9D-2 -0.00295 0.00000 0.00058 -0.00013 -0.00025 110 6 O 1S 0.00052 0.00000 0.00052 0.00285 0.00540 111 2S 0.00083 0.00000 0.00083 0.00635 0.01209 112 3S 0.00040 0.00000 0.00040 -0.00612 -0.01248 113 4S -0.00095 0.00000 -0.00095 -0.01156 -0.01551 114 5S 0.01635 0.00000 0.01635 0.02989 0.05796 115 6PX 0.02155 -0.01914 -0.00578 0.02235 0.04740 116 6PY -0.00578 0.01914 -0.00578 0.02235 0.04740 117 6PZ -0.00578 0.00000 0.02155 0.02235 0.04740 118 7PX 0.01710 -0.01555 -0.00502 0.01711 0.03445 119 7PY -0.00502 0.01555 -0.00502 0.01711 0.03445 120 7PZ -0.00502 0.00000 0.01710 0.01711 0.03445 121 8PX 0.02215 -0.02159 -0.01145 0.00163 0.00490 122 8PY -0.01145 0.02159 -0.01145 0.00163 0.00490 123 8PZ -0.01145 0.00000 0.02215 0.00163 0.00490 124 9D 0 -0.00019 0.00000 0.00037 0.00000 0.00000 125 9D+1 -0.00048 -0.00005 -0.00048 -0.00256 -0.00480 126 9D-1 -0.00079 0.00005 -0.00048 -0.00256 -0.00480 127 9D+2 0.00032 -0.00005 0.00000 0.00000 0.00000 128 9D-2 -0.00048 0.00000 -0.00079 -0.00256 -0.00480 129 7 O 1S -0.00052 0.00000 -0.00052 0.00015 0.00033 130 2S -0.00083 0.00000 -0.00083 0.00037 0.00082 131 3S -0.00040 0.00000 -0.00040 -0.00069 -0.00146 132 4S 0.00095 0.00000 0.00095 -0.00078 -0.00187 133 5S -0.01635 0.00000 -0.01635 -0.00274 -0.00466 134 6PX 0.02155 0.01914 -0.00578 0.00103 0.00227 135 6PY 0.00578 0.01914 0.00578 0.00388 0.00859 136 6PZ -0.00578 0.00000 0.02155 0.00103 0.00227 137 7PX 0.01710 0.01555 -0.00502 0.00075 0.00181 138 7PY 0.00502 0.01555 0.00502 0.00328 0.00728 139 7PZ -0.00502 0.00000 0.01710 0.00075 0.00181 140 8PX 0.02215 0.02159 -0.01145 0.00098 0.00200 141 8PY 0.01145 0.02159 0.01145 0.00360 0.00741 142 8PZ -0.01145 0.00000 0.02215 0.00098 0.00200 143 9D 0 0.00019 0.00000 -0.00037 0.00001 0.00003 144 9D+1 0.00048 -0.00005 0.00048 -0.00002 -0.00004 145 9D-1 -0.00079 -0.00005 -0.00048 0.00005 0.00009 146 9D+2 -0.00032 -0.00005 0.00000 0.00002 0.00006 147 9D-2 -0.00048 0.00000 -0.00079 0.00005 0.00009 148 8 O 1S 0.00052 0.00000 -0.00052 0.00015 0.00033 149 2S 0.00083 0.00000 -0.00083 0.00037 0.00082 150 3S 0.00040 0.00000 -0.00040 -0.00069 -0.00146 151 4S -0.00095 0.00000 0.00095 -0.00078 -0.00187 152 5S 0.01635 0.00000 -0.01635 -0.00274 -0.00466 153 6PX 0.02155 -0.01914 0.00578 0.00388 0.00859 154 6PY 0.00578 -0.01914 -0.00578 0.00103 0.00227 155 6PZ 0.00578 0.00000 0.02155 0.00103 0.00227 156 7PX 0.01710 -0.01555 0.00502 0.00328 0.00728 157 7PY 0.00502 -0.01555 -0.00502 0.00075 0.00181 158 7PZ 0.00502 0.00000 0.01710 0.00075 0.00181 159 8PX 0.02215 -0.02159 0.01145 0.00360 0.00741 160 8PY 0.01145 -0.02159 -0.01145 0.00098 0.00200 161 8PZ 0.01145 0.00000 0.02215 0.00098 0.00200 162 9D 0 -0.00019 0.00000 -0.00037 0.00001 0.00003 163 9D+1 0.00048 0.00005 -0.00048 0.00005 0.00009 164 9D-1 -0.00079 0.00005 0.00048 -0.00002 -0.00004 165 9D+2 0.00032 -0.00005 0.00000 -0.00002 -0.00006 166 9D-2 0.00048 0.00000 -0.00079 0.00005 0.00009 167 9 O 1S -0.00052 0.00000 0.00052 0.00015 0.00033 168 2S -0.00083 0.00000 0.00083 0.00037 0.00082 169 3S -0.00040 0.00000 0.00040 -0.00069 -0.00146 170 4S 0.00095 0.00000 -0.00095 -0.00078 -0.00187 171 5S -0.01635 0.00000 0.01635 -0.00274 -0.00466 172 6PX 0.02155 0.01914 0.00578 0.00103 0.00227 173 6PY -0.00578 -0.01914 0.00578 0.00103 0.00227 174 6PZ 0.00578 0.00000 0.02155 0.00388 0.00859 175 7PX 0.01710 0.01555 0.00502 0.00075 0.00181 176 7PY -0.00502 -0.01555 0.00502 0.00075 0.00181 177 7PZ 0.00502 0.00000 0.01710 0.00328 0.00728 178 8PX 0.02215 0.02159 0.01145 0.00098 0.00200 179 8PY -0.01145 -0.02159 0.01145 0.00098 0.00200 180 8PZ 0.01145 0.00000 0.02215 0.00360 0.00741 181 9D 0 0.00019 0.00000 0.00037 -0.00003 -0.00007 182 9D+1 -0.00048 0.00005 0.00048 0.00005 0.00009 183 9D-1 -0.00079 -0.00005 0.00048 0.00005 0.00009 184 9D+2 -0.00032 -0.00005 0.00000 0.00000 0.00000 185 9D-2 0.00048 0.00000 -0.00079 -0.00002 -0.00004 36 37 38 39 40 36 3S 0.29416 37 4S 0.32001 0.42574 38 5S 0.08242 0.12493 0.05455 39 6PX -0.01378 -0.09284 -0.04628 0.18738 40 6PY -0.01378 -0.09284 -0.04628 0.05249 0.18738 41 6PZ -0.01378 -0.09284 -0.04628 0.05249 0.05249 42 7PX -0.02951 -0.06965 -0.02895 0.11928 0.01383 43 7PY -0.02951 -0.06965 -0.02895 0.01383 0.11928 44 7PZ -0.02951 -0.06965 -0.02895 0.01383 0.01383 45 8PX -0.00482 0.00355 0.00668 0.01953 -0.02411 46 8PY -0.00482 0.00355 0.00668 -0.02411 0.01953 47 8PZ -0.00482 0.00355 0.00668 -0.02411 -0.02411 48 9D 0 0.00000 0.00000 0.00000 -0.00535 -0.00535 49 9D+1 0.00849 0.00227 -0.00216 0.01031 0.00098 50 9D-1 0.00849 0.00227 -0.00216 0.00098 0.01031 51 9D+2 0.00000 0.00000 0.00000 0.00926 -0.00926 52 9D-2 0.00849 0.00227 -0.00216 0.01031 0.01031 53 3 C 1S 0.00321 0.00392 0.00644 -0.00051 -0.00051 54 2S 0.00678 0.00894 0.01271 -0.00117 -0.00117 55 3S -0.01111 -0.01677 -0.01741 0.00348 0.00348 56 4S -0.01677 -0.02424 -0.02875 0.00000 0.00000 57 5S -0.01741 -0.02875 -0.01597 0.00760 0.00760 58 6PX -0.00348 0.00000 -0.00760 -0.00095 -0.00516 59 6PY -0.00348 0.00000 -0.00760 -0.00516 -0.00095 60 6PZ 0.01157 0.02483 0.01992 -0.00769 -0.00769 61 7PX -0.00094 0.00340 -0.00280 -0.00340 -0.00765 62 7PY -0.00094 0.00340 -0.00280 -0.00765 -0.00340 63 7PZ 0.00908 0.01881 0.01461 -0.00436 -0.00436 64 8PX 0.00082 0.00551 0.00693 0.00110 -0.00482 65 8PY 0.00082 0.00551 0.00693 -0.00482 0.00110 66 8PZ 0.00615 0.01229 0.00784 -0.00686 -0.00686 67 9D 0 -0.00202 -0.00304 -0.00299 0.00186 0.00186 68 9D+1 0.00037 0.00031 0.00001 -0.00098 -0.00082 69 9D-1 0.00037 0.00031 0.00001 -0.00082 -0.00098 70 9D+2 0.00000 0.00000 0.00000 0.00083 -0.00083 71 9D-2 0.00194 0.00303 0.00249 -0.00125 -0.00125 72 4 C 1S 0.00321 0.00392 0.00644 -0.00051 -0.00358 73 2S 0.00678 0.00894 0.01271 -0.00117 -0.00771 74 3S -0.01111 -0.01677 -0.01741 0.00348 0.01157 75 4S -0.01677 -0.02424 -0.02875 0.00000 0.02483 76 5S -0.01741 -0.02875 -0.01597 0.00760 0.01992 77 6PX -0.00348 0.00000 -0.00760 -0.00095 0.00769 78 6PY 0.01157 0.02483 0.01992 -0.00769 -0.00885 79 6PZ -0.00348 0.00000 -0.00760 -0.00516 0.00769 80 7PX -0.00094 0.00340 -0.00280 -0.00340 0.00620 81 7PY 0.00908 0.01881 0.01461 -0.00436 -0.00543 82 7PZ -0.00094 0.00340 -0.00280 -0.00765 0.00620 83 8PX 0.00082 0.00551 0.00693 0.00110 -0.00449 84 8PY 0.00615 0.01229 0.00784 -0.00686 0.00529 85 8PZ 0.00082 0.00551 0.00693 -0.00482 -0.00449 86 9D 0 0.00101 0.00152 0.00150 -0.00165 0.00005 87 9D+1 0.00194 0.00303 0.00249 -0.00125 -0.00131 88 9D-1 0.00037 0.00031 0.00001 -0.00082 0.00142 89 9D+2 0.00175 0.00263 0.00259 -0.00120 0.00009 90 9D-2 0.00037 0.00031 0.00001 -0.00098 0.00142 91 5 C 1S 0.00321 0.00392 0.00644 -0.00358 -0.00051 92 2S 0.00678 0.00894 0.01271 -0.00771 -0.00117 93 3S -0.01111 -0.01677 -0.01741 0.01157 0.00348 94 4S -0.01677 -0.02424 -0.02875 0.02483 0.00000 95 5S -0.01741 -0.02875 -0.01597 0.01992 0.00760 96 6PX 0.01157 0.02483 0.01992 -0.00885 -0.00769 97 6PY -0.00348 0.00000 -0.00760 0.00769 -0.00095 98 6PZ -0.00348 0.00000 -0.00760 0.00769 -0.00516 99 7PX 0.00908 0.01881 0.01461 -0.00543 -0.00436 100 7PY -0.00094 0.00340 -0.00280 0.00620 -0.00340 101 7PZ -0.00094 0.00340 -0.00280 0.00620 -0.00765 102 8PX 0.00615 0.01229 0.00784 0.00529 -0.00686 103 8PY 0.00082 0.00551 0.00693 -0.00449 0.00110 104 8PZ 0.00082 0.00551 0.00693 -0.00449 -0.00482 105 9D 0 0.00101 0.00152 0.00150 0.00005 -0.00165 106 9D+1 0.00037 0.00031 0.00001 0.00142 -0.00082 107 9D-1 0.00194 0.00303 0.00249 -0.00131 -0.00125 108 9D+2 -0.00175 -0.00263 -0.00259 -0.00009 0.00120 109 9D-2 0.00037 0.00031 0.00001 0.00142 -0.00098 110 6 O 1S -0.00641 0.00920 -0.00393 -0.01368 -0.01368 111 2S -0.01534 0.02545 -0.00392 -0.03246 -0.03246 112 3S 0.02081 -0.05264 -0.01009 0.05157 0.05157 113 4S 0.00003 -0.08107 -0.00878 0.04703 0.04703 114 5S -0.08294 -0.12127 -0.02833 0.00866 0.00866 115 6PX -0.08889 -0.03766 0.01822 0.04187 -0.14574 116 6PY -0.08889 -0.03766 0.01822 -0.14574 0.04187 117 6PZ -0.08889 -0.03766 0.01822 -0.14574 -0.14574 118 7PX -0.05943 -0.02262 0.01449 0.04396 -0.11191 119 7PY -0.05943 -0.02262 0.01449 -0.11191 0.04396 120 7PZ -0.05943 -0.02262 0.01449 -0.11191 -0.11191 121 8PX -0.01538 -0.00054 0.00978 0.02314 -0.04872 122 8PY -0.01538 -0.00054 0.00978 -0.04872 0.02314 123 8PZ -0.01538 -0.00054 0.00978 -0.04872 -0.04872 124 9D 0 0.00000 0.00000 0.00000 0.00481 0.00481 125 9D+1 0.00689 0.00309 -0.00074 0.00296 0.01129 126 9D-1 0.00689 0.00309 -0.00074 0.01129 0.00296 127 9D+2 0.00000 0.00000 0.00000 -0.00833 0.00833 128 9D-2 0.00689 0.00309 -0.00074 0.00296 0.00296 129 7 O 1S -0.00071 -0.00023 -0.00253 0.00003 0.00094 130 2S -0.00161 -0.00104 -0.00448 0.00006 0.00227 131 3S 0.00249 0.00323 0.00343 0.00017 -0.00444 132 4S 0.00379 0.00481 0.00367 -0.00194 -0.00241 133 5S 0.00388 0.00956 0.00797 -0.00209 -0.01318 134 6PX -0.00403 -0.00424 -0.00301 0.00300 -0.00449 135 6PY -0.01604 -0.01899 -0.02350 0.00994 0.00602 136 6PZ -0.00403 -0.00424 -0.00301 0.00891 -0.00449 137 7PX -0.00368 -0.00372 -0.00283 0.00206 -0.00315 138 7PY -0.01353 -0.01633 -0.01936 0.00911 0.00460 139 7PZ -0.00368 -0.00372 -0.00283 0.00689 -0.00315 140 8PX -0.00297 -0.00436 -0.00426 0.00093 -0.00293 141 8PY -0.01136 -0.01741 -0.01723 0.00900 0.00273 142 8PZ -0.00297 -0.00436 -0.00426 0.00703 -0.00293 143 9D 0 -0.00012 0.00013 -0.00014 0.00002 -0.00003 144 9D+1 -0.00002 0.00028 0.00011 -0.00001 -0.00015 145 9D-1 -0.00020 -0.00005 -0.00035 0.00003 0.00010 146 9D+2 -0.00022 0.00023 -0.00024 0.00004 -0.00006 147 9D-2 -0.00020 -0.00005 -0.00035 0.00004 0.00010 148 8 O 1S -0.00071 -0.00023 -0.00253 0.00094 0.00003 149 2S -0.00161 -0.00104 -0.00448 0.00227 0.00006 150 3S 0.00249 0.00323 0.00343 -0.00444 0.00017 151 4S 0.00379 0.00481 0.00367 -0.00241 -0.00194 152 5S 0.00388 0.00956 0.00797 -0.01318 -0.00209 153 6PX -0.01604 -0.01899 -0.02350 0.00602 0.00994 154 6PY -0.00403 -0.00424 -0.00301 -0.00449 0.00300 155 6PZ -0.00403 -0.00424 -0.00301 -0.00449 0.00891 156 7PX -0.01353 -0.01633 -0.01936 0.00460 0.00911 157 7PY -0.00368 -0.00372 -0.00283 -0.00315 0.00206 158 7PZ -0.00368 -0.00372 -0.00283 -0.00315 0.00689 159 8PX -0.01136 -0.01741 -0.01723 0.00273 0.00900 160 8PY -0.00297 -0.00436 -0.00426 -0.00293 0.00093 161 8PZ -0.00297 -0.00436 -0.00426 -0.00293 0.00703 162 9D 0 -0.00012 0.00013 -0.00014 -0.00003 0.00002 163 9D+1 -0.00020 -0.00005 -0.00035 0.00010 0.00003 164 9D-1 -0.00002 0.00028 0.00011 -0.00015 -0.00001 165 9D+2 0.00022 -0.00023 0.00024 0.00006 -0.00004 166 9D-2 -0.00020 -0.00005 -0.00035 0.00010 0.00004 167 9 O 1S -0.00071 -0.00023 -0.00253 0.00003 0.00003 168 2S -0.00161 -0.00104 -0.00448 0.00006 0.00006 169 3S 0.00249 0.00323 0.00343 0.00017 0.00017 170 4S 0.00379 0.00481 0.00367 -0.00194 -0.00194 171 5S 0.00388 0.00956 0.00797 -0.00209 -0.00209 172 6PX -0.00403 -0.00424 -0.00301 0.00300 0.00891 173 6PY -0.00403 -0.00424 -0.00301 0.00891 0.00300 174 6PZ -0.01604 -0.01899 -0.02350 0.00994 0.00994 175 7PX -0.00368 -0.00372 -0.00283 0.00206 0.00689 176 7PY -0.00368 -0.00372 -0.00283 0.00689 0.00206 177 7PZ -0.01353 -0.01633 -0.01936 0.00911 0.00911 178 8PX -0.00297 -0.00436 -0.00426 0.00093 0.00703 179 8PY -0.00297 -0.00436 -0.00426 0.00703 0.00093 180 8PZ -0.01136 -0.01741 -0.01723 0.00900 0.00900 181 9D 0 0.00025 -0.00026 0.00028 -0.00004 -0.00004 182 9D+1 -0.00020 -0.00005 -0.00035 0.00004 0.00003 183 9D-1 -0.00020 -0.00005 -0.00035 0.00003 0.00004 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 -0.00002 0.00028 0.00011 -0.00001 -0.00001 41 42 43 44 45 41 6PZ 0.18738 42 7PX 0.01383 0.08270 43 7PY 0.01383 -0.00026 0.08270 44 7PZ 0.11928 -0.00026 -0.00026 0.08270 45 8PX -0.02411 0.01932 -0.01689 -0.01689 0.01890 46 8PY -0.02411 -0.01689 0.01932 -0.01689 -0.00450 47 8PZ 0.01953 -0.01689 -0.01689 0.01932 -0.00450 48 9D 0 0.01070 -0.00386 -0.00386 0.00773 -0.00035 49 9D+1 0.01031 0.00494 -0.00180 0.00494 -0.00109 50 9D-1 0.01031 -0.00180 0.00494 0.00494 -0.00184 51 9D+2 0.00000 0.00669 -0.00669 0.00000 0.00060 52 9D-2 0.00098 0.00494 0.00494 -0.00180 -0.00109 53 3 C 1S -0.00358 0.00057 0.00057 -0.00261 0.00159 54 2S -0.00771 0.00078 0.00078 -0.00580 0.00244 55 3S 0.01157 0.00094 0.00094 0.00908 -0.00082 56 4S 0.02483 -0.00340 -0.00340 0.01881 -0.00551 57 5S 0.01992 0.00280 0.00280 0.01461 -0.00693 58 6PX 0.00769 -0.00340 -0.00765 0.00436 0.00110 59 6PY 0.00769 -0.00765 -0.00340 0.00436 -0.00482 60 6PZ -0.00885 -0.00620 -0.00620 -0.00543 0.00449 61 7PX 0.00620 -0.00395 -0.00793 0.00454 0.00149 62 7PY 0.00620 -0.00793 -0.00395 0.00454 -0.00363 63 7PZ -0.00543 -0.00454 -0.00454 -0.00375 0.00287 64 8PX -0.00449 0.00149 -0.00363 -0.00287 0.00655 65 8PY -0.00449 -0.00363 0.00149 -0.00287 0.00000 66 8PZ 0.00529 -0.00655 -0.00655 0.00547 -0.00163 67 9D 0 -0.00011 0.00093 0.00093 -0.00086 0.00002 68 9D+1 0.00142 -0.00076 -0.00078 0.00132 -0.00103 69 9D-1 0.00142 -0.00078 -0.00076 0.00132 -0.00099 70 9D+2 0.00000 0.00062 -0.00062 0.00000 0.00076 71 9D-2 -0.00131 -0.00042 -0.00042 -0.00047 0.00071 72 4 C 1S -0.00051 0.00057 -0.00261 0.00057 0.00159 73 2S -0.00117 0.00078 -0.00580 0.00078 0.00244 74 3S 0.00348 0.00094 0.00908 0.00094 -0.00082 75 4S 0.00000 -0.00340 0.01881 -0.00340 -0.00551 76 5S 0.00760 0.00280 0.01461 0.00280 -0.00693 77 6PX -0.00516 -0.00340 0.00436 -0.00765 0.00110 78 6PY -0.00769 -0.00620 -0.00543 -0.00620 0.00449 79 6PZ -0.00095 -0.00765 0.00436 -0.00340 -0.00482 80 7PX -0.00765 -0.00395 0.00454 -0.00793 0.00149 81 7PY -0.00436 -0.00454 -0.00375 -0.00454 0.00287 82 7PZ -0.00340 -0.00793 0.00454 -0.00395 -0.00363 83 8PX -0.00482 0.00149 -0.00287 -0.00363 0.00655 84 8PY -0.00686 -0.00655 0.00547 -0.00655 -0.00163 85 8PZ 0.00110 -0.00363 -0.00287 0.00149 0.00000 86 9D 0 -0.00021 -0.00101 0.00043 0.00007 -0.00067 87 9D+1 -0.00125 -0.00042 -0.00047 -0.00042 0.00071 88 9D-1 -0.00098 -0.00078 0.00132 -0.00076 -0.00099 89 9D+2 -0.00202 -0.00050 0.00075 -0.00112 0.00036 90 9D-2 -0.00082 -0.00076 0.00132 -0.00078 -0.00103 91 5 C 1S -0.00051 -0.00261 0.00057 0.00057 -0.00215 92 2S -0.00117 -0.00580 0.00078 0.00078 -0.00445 93 3S 0.00348 0.00908 0.00094 0.00094 0.00615 94 4S 0.00000 0.01881 -0.00340 -0.00340 0.01229 95 5S 0.00760 0.01461 0.00280 0.00280 0.00784 96 6PX -0.00769 -0.00543 -0.00620 -0.00620 0.00529 97 6PY -0.00516 0.00436 -0.00340 -0.00765 0.00686 98 6PZ -0.00095 0.00436 -0.00765 -0.00340 0.00686 99 7PX -0.00436 -0.00375 -0.00454 -0.00454 0.00547 100 7PY -0.00765 0.00454 -0.00395 -0.00793 0.00655 101 7PZ -0.00340 0.00454 -0.00793 -0.00395 0.00655 102 8PX -0.00686 0.00547 -0.00655 -0.00655 0.01226 103 8PY -0.00482 -0.00287 0.00149 -0.00363 0.00163 104 8PZ 0.00110 -0.00287 -0.00363 0.00149 0.00163 105 9D 0 -0.00021 0.00043 -0.00101 0.00007 0.00108 106 9D+1 -0.00098 0.00132 -0.00078 -0.00076 0.00149 107 9D-1 -0.00125 -0.00047 -0.00042 -0.00042 0.00039 108 9D+2 0.00202 -0.00075 0.00050 0.00112 -0.00188 109 9D-2 -0.00082 0.00132 -0.00076 -0.00078 0.00149 110 6 O 1S -0.01368 -0.00158 -0.00158 -0.00158 -0.00327 111 2S -0.03246 -0.00462 -0.00462 -0.00462 -0.00546 112 3S 0.05157 0.01081 0.01081 0.01081 0.00192 113 4S 0.04703 0.00477 0.00477 0.00477 0.00688 114 5S 0.00866 0.00203 0.00203 0.00203 0.00243 115 6PX -0.14574 0.05551 -0.08452 -0.08452 0.03480 116 6PY -0.14574 -0.08452 0.05551 -0.08452 0.00293 117 6PZ 0.04187 -0.08452 -0.08452 0.05551 0.00293 118 7PX -0.11191 0.05003 -0.06635 -0.06635 0.02747 119 7PY -0.11191 -0.06635 0.05003 -0.06635 0.00081 120 7PZ 0.04396 -0.06635 -0.06635 0.05003 0.00081 121 8PX -0.04872 0.02164 -0.02995 -0.02995 0.00681 122 8PY -0.04872 -0.02995 0.02164 -0.02995 0.00346 123 8PZ 0.02314 -0.02995 -0.02995 0.02164 0.00346 124 9D 0 -0.00962 0.00367 0.00367 -0.00734 0.00116 125 9D+1 0.00296 0.00022 0.00657 0.00022 -0.00141 126 9D-1 0.00296 0.00657 0.00022 0.00022 0.00061 127 9D+2 0.00000 -0.00636 0.00636 0.00000 -0.00201 128 9D-2 0.01129 0.00022 0.00022 0.00657 -0.00141 129 7 O 1S 0.00003 -0.00018 0.00028 -0.00018 -0.00015 130 2S 0.00006 -0.00047 0.00088 -0.00047 -0.00043 131 3S 0.00017 0.00109 -0.00261 0.00109 0.00125 132 4S -0.00194 -0.00051 -0.00084 -0.00051 -0.00004 133 5S -0.00209 0.00026 -0.01023 0.00026 0.00484 134 6PX 0.00891 0.00161 -0.00518 0.00532 0.00165 135 6PY 0.00994 0.00110 -0.00253 0.00110 -0.00236 136 6PZ 0.00300 0.00532 -0.00518 0.00161 0.00655 137 7PX 0.00689 0.00092 -0.00394 0.00395 0.00102 138 7PY 0.00911 0.00158 -0.00234 0.00158 -0.00158 139 7PZ 0.00206 0.00395 -0.00394 0.00092 0.00505 140 8PX 0.00703 0.00034 -0.00377 0.00484 -0.00120 141 8PY 0.00900 0.00407 -0.00199 0.00407 -0.00145 142 8PZ 0.00093 0.00484 -0.00377 0.00034 0.00453 143 9D 0 0.00002 -0.00019 -0.00015 -0.00009 0.00001 144 9D+1 -0.00001 -0.00010 -0.00014 -0.00010 0.00019 145 9D-1 0.00004 -0.00012 -0.00010 -0.00016 -0.00003 146 9D+2 0.00004 -0.00022 -0.00025 -0.00027 0.00017 147 9D-2 0.00003 -0.00016 -0.00010 -0.00012 -0.00010 148 8 O 1S 0.00003 0.00028 -0.00018 -0.00018 0.00037 149 2S 0.00006 0.00088 -0.00047 -0.00047 0.00092 150 3S 0.00017 -0.00261 0.00109 0.00109 -0.00197 151 4S -0.00194 -0.00084 -0.00051 -0.00051 -0.00114 152 5S -0.00209 -0.01023 0.00026 0.00026 -0.00739 153 6PX 0.00994 -0.00253 0.00110 0.00110 -0.00897 154 6PY 0.00891 -0.00518 0.00161 0.00532 -0.00681 155 6PZ 0.00300 -0.00518 0.00532 0.00161 -0.00681 156 7PX 0.00911 -0.00234 0.00158 0.00158 -0.00751 157 7PY 0.00689 -0.00394 0.00092 0.00395 -0.00547 158 7PZ 0.00206 -0.00394 0.00395 0.00092 -0.00547 159 8PX 0.00900 -0.00199 0.00407 0.00407 -0.00943 160 8PY 0.00703 -0.00377 0.00034 0.00484 -0.00642 161 8PZ 0.00093 -0.00377 0.00484 0.00034 -0.00642 162 9D 0 0.00002 -0.00015 -0.00019 -0.00009 -0.00002 163 9D+1 0.00004 -0.00010 -0.00012 -0.00016 -0.00006 164 9D-1 -0.00001 -0.00014 -0.00010 -0.00010 0.00003 165 9D+2 -0.00004 0.00025 0.00022 0.00027 0.00003 166 9D-2 0.00003 -0.00010 -0.00016 -0.00012 -0.00006 167 9 O 1S 0.00094 -0.00018 -0.00018 0.00028 -0.00015 168 2S 0.00227 -0.00047 -0.00047 0.00088 -0.00043 169 3S -0.00444 0.00109 0.00109 -0.00261 0.00125 170 4S -0.00241 -0.00051 -0.00051 -0.00084 -0.00004 171 5S -0.01318 0.00026 0.00026 -0.01023 0.00484 172 6PX -0.00449 0.00161 0.00532 -0.00518 0.00165 173 6PY -0.00449 0.00532 0.00161 -0.00518 0.00655 174 6PZ 0.00602 0.00110 0.00110 -0.00253 -0.00236 175 7PX -0.00315 0.00092 0.00395 -0.00394 0.00102 176 7PY -0.00315 0.00395 0.00092 -0.00394 0.00505 177 7PZ 0.00460 0.00158 0.00158 -0.00234 -0.00158 178 8PX -0.00293 0.00034 0.00484 -0.00377 -0.00120 179 8PY -0.00293 0.00484 0.00034 -0.00377 0.00453 180 8PZ 0.00273 0.00407 0.00407 -0.00199 -0.00145 181 9D 0 0.00007 0.00028 0.00028 0.00029 -0.00015 182 9D+1 0.00010 -0.00016 -0.00012 -0.00010 -0.00010 183 9D-1 0.00010 -0.00012 -0.00016 -0.00010 -0.00003 184 9D+2 0.00000 0.00005 -0.00005 0.00000 0.00008 185 9D-2 -0.00015 -0.00010 -0.00010 -0.00014 0.00019 46 47 48 49 50 46 8PY 0.01890 47 8PZ -0.00450 0.01890 48 9D 0 -0.00035 0.00070 0.00253 49 9D+1 -0.00184 -0.00109 0.00072 0.00191 50 9D-1 -0.00109 -0.00109 0.00072 0.00064 0.00191 51 9D+2 -0.00060 0.00000 0.00000 0.00125 -0.00125 52 9D-2 -0.00109 -0.00184 -0.00144 0.00064 0.00064 53 3 C 1S 0.00159 -0.00215 0.00059 0.00013 0.00013 54 2S 0.00244 -0.00445 0.00125 0.00025 0.00025 55 3S -0.00082 0.00615 -0.00202 -0.00037 -0.00037 56 4S -0.00551 0.01229 -0.00304 -0.00031 -0.00031 57 5S -0.00693 0.00784 -0.00299 -0.00001 -0.00001 58 6PX -0.00482 0.00686 -0.00186 -0.00098 -0.00082 59 6PY 0.00110 0.00686 -0.00186 -0.00082 -0.00098 60 6PZ 0.00449 0.00529 -0.00011 -0.00142 -0.00142 61 7PX -0.00363 0.00655 -0.00093 -0.00076 -0.00078 62 7PY 0.00149 0.00655 -0.00093 -0.00078 -0.00076 63 7PZ 0.00287 0.00547 -0.00086 -0.00132 -0.00132 64 8PX 0.00000 0.00163 -0.00002 -0.00103 -0.00099 65 8PY 0.00655 0.00163 -0.00002 -0.00099 -0.00103 66 8PZ -0.00163 0.01226 -0.00217 -0.00149 -0.00149 67 9D 0 0.00002 -0.00217 0.00023 0.00034 0.00034 68 9D+1 -0.00099 0.00149 -0.00034 -0.00009 -0.00002 69 9D-1 -0.00103 0.00149 -0.00034 -0.00002 -0.00009 70 9D+2 -0.00076 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00071 0.00039 0.00014 -0.00019 -0.00019 72 4 C 1S -0.00215 0.00159 -0.00029 -0.00061 0.00013 73 2S -0.00445 0.00244 -0.00062 -0.00127 0.00025 74 3S 0.00615 -0.00082 0.00101 0.00194 -0.00037 75 4S 0.01229 -0.00551 0.00152 0.00303 -0.00031 76 5S 0.00784 -0.00693 0.00150 0.00249 -0.00001 77 6PX 0.00686 -0.00482 0.00165 0.00125 -0.00082 78 6PY 0.00529 0.00449 0.00005 -0.00131 -0.00142 79 6PZ 0.00686 0.00110 0.00021 0.00125 -0.00098 80 7PX 0.00655 -0.00363 0.00101 0.00042 -0.00078 81 7PY 0.00547 0.00287 0.00043 -0.00047 -0.00132 82 7PZ 0.00655 0.00149 -0.00007 0.00042 -0.00076 83 8PX 0.00163 0.00000 0.00067 -0.00071 -0.00099 84 8PY 0.01226 -0.00163 0.00108 0.00039 -0.00149 85 8PZ 0.00163 0.00655 -0.00065 -0.00071 -0.00103 86 9D 0 0.00108 0.00065 -0.00006 -0.00007 -0.00017 87 9D+1 0.00039 0.00071 -0.00007 -0.00023 -0.00019 88 9D-1 0.00149 -0.00103 0.00017 0.00019 -0.00009 89 9D+2 0.00188 -0.00040 0.00017 -0.00012 -0.00029 90 9D-2 0.00149 -0.00099 0.00017 0.00019 -0.00002 91 5 C 1S 0.00159 0.00159 -0.00029 0.00013 -0.00061 92 2S 0.00244 0.00244 -0.00062 0.00025 -0.00127 93 3S -0.00082 -0.00082 0.00101 -0.00037 0.00194 94 4S -0.00551 -0.00551 0.00152 -0.00031 0.00303 95 5S -0.00693 -0.00693 0.00150 -0.00001 0.00249 96 6PX 0.00449 0.00449 0.00005 -0.00142 -0.00131 97 6PY 0.00110 -0.00482 0.00165 -0.00082 0.00125 98 6PZ -0.00482 0.00110 0.00021 -0.00098 0.00125 99 7PX 0.00287 0.00287 0.00043 -0.00132 -0.00047 100 7PY 0.00149 -0.00363 0.00101 -0.00078 0.00042 101 7PZ -0.00363 0.00149 -0.00007 -0.00076 0.00042 102 8PX -0.00163 -0.00163 0.00108 -0.00149 0.00039 103 8PY 0.00655 0.00000 0.00067 -0.00099 -0.00071 104 8PZ 0.00000 0.00655 -0.00065 -0.00103 -0.00071 105 9D 0 -0.00067 0.00065 -0.00006 -0.00017 -0.00007 106 9D+1 -0.00099 -0.00103 0.00017 -0.00009 0.00019 107 9D-1 0.00071 0.00071 -0.00007 -0.00019 -0.00023 108 9D+2 -0.00036 0.00040 -0.00017 0.00029 0.00012 109 9D-2 -0.00103 -0.00099 0.00017 -0.00002 0.00019 110 6 O 1S -0.00327 -0.00327 0.00000 -0.00230 -0.00230 111 2S -0.00546 -0.00546 0.00000 -0.00538 -0.00538 112 3S 0.00192 0.00192 0.00000 0.00810 0.00810 113 4S 0.00688 0.00688 0.00000 0.00819 0.00819 114 5S 0.00243 0.00243 0.00000 0.00127 0.00127 115 6PX 0.00293 0.00293 -0.01184 -0.00192 -0.02231 116 6PY 0.03480 0.00293 -0.01184 -0.02231 -0.00192 117 6PZ 0.00293 0.03480 0.02368 -0.00192 -0.00192 118 7PX 0.00081 0.00081 -0.00981 -0.00051 -0.01741 119 7PY 0.02747 0.00081 -0.00981 -0.01741 -0.00051 120 7PZ 0.00081 0.02747 0.01963 -0.00051 -0.00051 121 8PX 0.00346 0.00346 -0.00587 0.00116 -0.00889 122 8PY 0.00681 0.00346 -0.00587 -0.00889 0.00116 123 8PZ 0.00346 0.00681 0.01174 0.00116 0.00116 124 9D 0 0.00116 -0.00232 -0.00151 -0.00044 -0.00044 125 9D+1 0.00061 -0.00141 -0.00043 0.00015 0.00090 126 9D-1 -0.00141 -0.00141 -0.00043 0.00090 0.00015 127 9D+2 0.00201 0.00000 0.00000 -0.00075 0.00075 128 9D-2 -0.00141 0.00061 0.00087 0.00090 0.00090 129 7 O 1S 0.00037 -0.00015 0.00009 0.00017 0.00005 130 2S 0.00092 -0.00043 0.00021 0.00038 0.00008 131 3S -0.00197 0.00125 -0.00035 -0.00063 -0.00006 132 4S -0.00114 -0.00004 -0.00048 -0.00079 0.00002 133 5S -0.00739 0.00484 -0.00111 -0.00185 -0.00024 134 6PX -0.00681 0.00655 -0.00111 -0.00030 0.00076 135 6PY -0.00897 -0.00236 -0.00012 0.00164 0.00156 136 6PZ -0.00681 0.00165 -0.00016 -0.00030 0.00076 137 7PX -0.00547 0.00505 -0.00093 -0.00026 0.00061 138 7PY -0.00751 -0.00158 -0.00006 0.00140 0.00126 139 7PZ -0.00547 0.00102 -0.00014 -0.00026 0.00064 140 8PX -0.00642 0.00453 -0.00111 -0.00016 0.00087 141 8PY -0.00943 -0.00145 -0.00042 0.00096 0.00169 142 8PZ -0.00642 -0.00120 -0.00003 -0.00016 0.00081 143 9D 0 -0.00002 0.00014 -0.00002 0.00001 -0.00002 144 9D+1 0.00003 0.00019 0.00000 -0.00001 -0.00001 145 9D-1 -0.00006 -0.00010 0.00003 0.00004 0.00000 146 9D+2 -0.00003 0.00009 0.00002 0.00003 -0.00001 147 9D-2 -0.00006 -0.00003 0.00000 0.00004 -0.00001 148 8 O 1S -0.00015 -0.00015 0.00009 0.00005 0.00017 149 2S -0.00043 -0.00043 0.00021 0.00008 0.00038 150 3S 0.00125 0.00125 -0.00035 -0.00006 -0.00063 151 4S -0.00004 -0.00004 -0.00048 0.00002 -0.00079 152 5S 0.00484 0.00484 -0.00111 -0.00024 -0.00185 153 6PX -0.00236 -0.00236 -0.00012 0.00156 0.00164 154 6PY 0.00165 0.00655 -0.00111 0.00076 -0.00030 155 6PZ 0.00655 0.00165 -0.00016 0.00076 -0.00030 156 7PX -0.00158 -0.00158 -0.00006 0.00126 0.00140 157 7PY 0.00102 0.00505 -0.00093 0.00061 -0.00026 158 7PZ 0.00505 0.00102 -0.00014 0.00064 -0.00026 159 8PX -0.00145 -0.00145 -0.00042 0.00169 0.00096 160 8PY -0.00120 0.00453 -0.00111 0.00087 -0.00016 161 8PZ 0.00453 -0.00120 -0.00003 0.00081 -0.00016 162 9D 0 0.00001 0.00014 -0.00002 -0.00002 0.00001 163 9D+1 -0.00003 -0.00010 0.00003 0.00000 0.00004 164 9D-1 0.00019 0.00019 0.00000 -0.00001 -0.00001 165 9D+2 -0.00017 -0.00009 -0.00002 0.00001 -0.00003 166 9D-2 -0.00010 -0.00003 0.00000 -0.00001 0.00004 167 9 O 1S -0.00015 0.00037 -0.00017 0.00005 0.00005 168 2S -0.00043 0.00092 -0.00041 0.00008 0.00008 169 3S 0.00125 -0.00197 0.00070 -0.00006 -0.00006 170 4S -0.00004 -0.00114 0.00095 0.00002 0.00002 171 5S 0.00484 -0.00739 0.00221 -0.00024 -0.00024 172 6PX 0.00655 -0.00681 0.00128 0.00076 0.00076 173 6PY 0.00165 -0.00681 0.00128 0.00076 0.00076 174 6PZ -0.00236 -0.00897 0.00024 0.00156 0.00156 175 7PX 0.00505 -0.00547 0.00107 0.00064 0.00061 176 7PY 0.00102 -0.00547 0.00107 0.00061 0.00064 177 7PZ -0.00158 -0.00751 0.00012 0.00126 0.00126 178 8PX 0.00453 -0.00642 0.00114 0.00081 0.00087 179 8PY -0.00120 -0.00642 0.00114 0.00087 0.00081 180 8PZ -0.00145 -0.00943 0.00084 0.00169 0.00169 181 9D 0 -0.00015 0.00003 0.00002 0.00002 0.00002 182 9D+1 -0.00003 -0.00006 -0.00003 0.00000 -0.00001 183 9D-1 -0.00010 -0.00006 -0.00003 -0.00001 0.00000 184 9D+2 -0.00008 0.00000 0.00000 -0.00001 0.00001 185 9D-2 0.00019 0.00003 0.00001 -0.00001 -0.00001 51 52 53 54 55 51 9D+2 0.00253 52 9D-2 0.00000 0.00191 53 3 C 1S 0.00000 -0.00061 0.45853 54 2S 0.00000 -0.00127 0.61728 0.84594 55 3S 0.00000 0.00194 -0.04652 -0.12825 0.29416 56 4S 0.00000 0.00303 -0.11681 -0.22889 0.32001 57 5S 0.00000 0.00249 -0.01277 -0.03665 0.08242 58 6PX -0.00083 0.00125 -0.00688 -0.01448 0.01378 59 6PY 0.00083 0.00125 -0.00688 -0.01448 0.01378 60 6PZ 0.00000 -0.00131 0.00688 0.01448 -0.01378 61 7PX -0.00062 0.00042 -0.01059 -0.02189 0.02951 62 7PY 0.00062 0.00042 -0.01059 -0.02189 0.02951 63 7PZ 0.00000 -0.00047 0.01059 0.02189 -0.02951 64 8PX -0.00076 -0.00071 0.00286 0.00301 0.00482 65 8PY 0.00076 -0.00071 0.00286 0.00301 0.00482 66 8PZ 0.00000 0.00039 -0.00286 -0.00301 -0.00482 67 9D 0 0.00000 0.00014 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00019 0.00103 0.00311 -0.00849 69 9D-1 0.00000 0.00019 0.00103 0.00311 -0.00849 70 9D+2 -0.00016 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 -0.00023 -0.00103 -0.00311 0.00849 72 4 C 1S -0.00051 0.00013 -0.00073 -0.00166 0.00321 73 2S -0.00108 0.00025 -0.00166 -0.00368 0.00678 74 3S 0.00175 -0.00037 0.00321 0.00678 -0.01111 75 4S 0.00263 -0.00031 0.00392 0.00894 -0.01677 76 5S 0.00259 -0.00001 0.00644 0.01271 -0.01741 77 6PX 0.00120 -0.00098 0.00358 0.00771 -0.01157 78 6PY 0.00009 -0.00142 -0.00051 -0.00117 0.00348 79 6PZ 0.00202 -0.00082 0.00051 0.00117 -0.00348 80 7PX 0.00050 -0.00076 0.00261 0.00580 -0.00908 81 7PY 0.00075 -0.00132 0.00057 0.00078 0.00094 82 7PZ 0.00112 -0.00078 -0.00057 -0.00078 -0.00094 83 8PX -0.00036 -0.00103 0.00215 0.00445 -0.00615 84 8PY 0.00188 -0.00149 0.00159 0.00244 -0.00082 85 8PZ 0.00040 -0.00099 -0.00159 -0.00244 0.00082 86 9D 0 0.00017 -0.00017 -0.00029 -0.00062 0.00101 87 9D+1 -0.00012 -0.00019 0.00013 0.00025 -0.00037 88 9D-1 0.00029 -0.00002 0.00061 0.00127 -0.00194 89 9D+2 0.00014 -0.00029 0.00051 0.00108 -0.00175 90 9D-2 0.00029 -0.00009 -0.00013 -0.00025 0.00037 91 5 C 1S 0.00051 0.00013 -0.00073 -0.00166 0.00321 92 2S 0.00108 0.00025 -0.00166 -0.00368 0.00678 93 3S -0.00175 -0.00037 0.00321 0.00678 -0.01111 94 4S -0.00263 -0.00031 0.00392 0.00894 -0.01677 95 5S -0.00259 -0.00001 0.00644 0.01271 -0.01741 96 6PX -0.00009 -0.00142 -0.00051 -0.00117 0.00348 97 6PY -0.00120 -0.00098 0.00358 0.00771 -0.01157 98 6PZ -0.00202 -0.00082 0.00051 0.00117 -0.00348 99 7PX -0.00075 -0.00132 0.00057 0.00078 0.00094 100 7PY -0.00050 -0.00076 0.00261 0.00580 -0.00908 101 7PZ -0.00112 -0.00078 -0.00057 -0.00078 -0.00094 102 8PX -0.00188 -0.00149 0.00159 0.00244 -0.00082 103 8PY 0.00036 -0.00103 0.00215 0.00445 -0.00615 104 8PZ -0.00040 -0.00099 -0.00159 -0.00244 0.00082 105 9D 0 -0.00017 -0.00017 -0.00029 -0.00062 0.00101 106 9D+1 -0.00029 -0.00002 0.00061 0.00127 -0.00194 107 9D-1 0.00012 -0.00019 0.00013 0.00025 -0.00037 108 9D+2 0.00014 0.00029 -0.00051 -0.00108 0.00175 109 9D-2 -0.00029 -0.00009 -0.00013 -0.00025 0.00037 110 6 O 1S 0.00000 -0.00230 0.00015 0.00033 -0.00071 111 2S 0.00000 -0.00538 0.00037 0.00082 -0.00161 112 3S 0.00000 0.00810 -0.00069 -0.00146 0.00249 113 4S 0.00000 0.00819 -0.00078 -0.00187 0.00379 114 5S 0.00000 0.00127 -0.00274 -0.00466 0.00388 115 6PX 0.02051 -0.00192 -0.00103 -0.00227 0.00403 116 6PY -0.02051 -0.00192 -0.00103 -0.00227 0.00403 117 6PZ 0.00000 -0.02231 0.00388 0.00859 -0.01604 118 7PX 0.01700 -0.00051 -0.00075 -0.00181 0.00368 119 7PY -0.01700 -0.00051 -0.00075 -0.00181 0.00368 120 7PZ 0.00000 -0.01741 0.00328 0.00728 -0.01353 121 8PX 0.01017 0.00116 -0.00098 -0.00200 0.00297 122 8PY -0.01017 0.00116 -0.00098 -0.00200 0.00297 123 8PZ 0.00000 -0.00889 0.00360 0.00741 -0.01136 124 9D 0 0.00000 0.00087 -0.00003 -0.00007 0.00025 125 9D+1 -0.00075 0.00090 -0.00005 -0.00009 0.00020 126 9D-1 0.00075 0.00090 -0.00005 -0.00009 0.00020 127 9D+2 -0.00151 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00015 -0.00002 -0.00004 -0.00002 129 7 O 1S 0.00015 0.00005 0.00015 0.00033 -0.00071 130 2S 0.00036 0.00008 0.00037 0.00082 -0.00161 131 3S -0.00061 -0.00006 -0.00069 -0.00146 0.00249 132 4S -0.00082 0.00002 -0.00078 -0.00187 0.00379 133 5S -0.00192 -0.00024 -0.00274 -0.00466 0.00388 134 6PX -0.00083 0.00076 -0.00388 -0.00859 0.01604 135 6PY -0.00020 0.00156 -0.00103 -0.00227 0.00403 136 6PZ -0.00138 0.00076 0.00103 0.00227 -0.00403 137 7PX -0.00070 0.00064 -0.00328 -0.00728 0.01353 138 7PY -0.00010 0.00126 -0.00075 -0.00181 0.00368 139 7PZ -0.00116 0.00061 0.00075 0.00181 -0.00368 140 8PX -0.00068 0.00081 -0.00360 -0.00741 0.01136 141 8PY -0.00073 0.00169 -0.00098 -0.00200 0.00297 142 8PZ -0.00130 0.00087 0.00098 0.00200 -0.00297 143 9D 0 0.00002 0.00000 0.00001 0.00003 -0.00012 144 9D+1 -0.00001 -0.00001 -0.00005 -0.00009 0.00020 145 9D-1 0.00002 -0.00001 0.00002 0.00004 0.00002 146 9D+2 0.00001 -0.00002 -0.00002 -0.00006 0.00022 147 9D-2 0.00003 0.00000 0.00005 0.00009 -0.00020 148 8 O 1S -0.00015 0.00005 0.00015 0.00033 -0.00071 149 2S -0.00036 0.00008 0.00037 0.00082 -0.00161 150 3S 0.00061 -0.00006 -0.00069 -0.00146 0.00249 151 4S 0.00082 0.00002 -0.00078 -0.00187 0.00379 152 5S 0.00192 -0.00024 -0.00274 -0.00466 0.00388 153 6PX 0.00020 0.00156 -0.00103 -0.00227 0.00403 154 6PY 0.00083 0.00076 -0.00388 -0.00859 0.01604 155 6PZ 0.00138 0.00076 0.00103 0.00227 -0.00403 156 7PX 0.00010 0.00126 -0.00075 -0.00181 0.00368 157 7PY 0.00070 0.00064 -0.00328 -0.00728 0.01353 158 7PZ 0.00116 0.00061 0.00075 0.00181 -0.00368 159 8PX 0.00073 0.00169 -0.00098 -0.00200 0.00297 160 8PY 0.00068 0.00081 -0.00360 -0.00741 0.01136 161 8PZ 0.00130 0.00087 0.00098 0.00200 -0.00297 162 9D 0 -0.00002 0.00000 0.00001 0.00003 -0.00012 163 9D+1 -0.00002 -0.00001 0.00002 0.00004 0.00002 164 9D-1 0.00001 -0.00001 -0.00005 -0.00009 0.00020 165 9D+2 0.00001 0.00002 0.00002 0.00006 -0.00022 166 9D-2 -0.00003 0.00000 0.00005 0.00009 -0.00020 167 9 O 1S 0.00000 0.00017 0.00285 0.00540 -0.00641 168 2S 0.00000 0.00038 0.00635 0.01209 -0.01534 169 3S 0.00000 -0.00063 -0.00612 -0.01248 0.02081 170 4S 0.00000 -0.00079 -0.01156 -0.01551 0.00003 171 5S 0.00000 -0.00185 0.02989 0.05796 -0.08294 172 6PX 0.00055 -0.00030 -0.02235 -0.04740 0.08889 173 6PY -0.00055 -0.00030 -0.02235 -0.04740 0.08889 174 6PZ 0.00000 0.00164 0.02235 0.04740 -0.08889 175 7PX 0.00046 -0.00026 -0.01711 -0.03445 0.05943 176 7PY -0.00046 -0.00026 -0.01711 -0.03445 0.05943 177 7PZ 0.00000 0.00140 0.01711 0.03445 -0.05943 178 8PX 0.00062 -0.00016 -0.00163 -0.00490 0.01538 179 8PY -0.00062 -0.00016 -0.00163 -0.00490 0.01538 180 8PZ 0.00000 0.00096 0.00163 0.00490 -0.01538 181 9D 0 0.00000 -0.00003 0.00000 0.00000 0.00000 182 9D+1 0.00001 0.00004 0.00256 0.00480 -0.00689 183 9D-1 -0.00001 0.00004 0.00256 0.00480 -0.00689 184 9D+2 -0.00003 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 -0.00001 -0.00256 -0.00480 0.00689 56 57 58 59 60 56 4S 0.42574 57 5S 0.12493 0.05455 58 6PX 0.09284 0.04628 0.18738 59 6PY 0.09284 0.04628 0.05249 0.18738 60 6PZ -0.09284 -0.04628 -0.05249 -0.05249 0.18738 61 7PX 0.06965 0.02895 0.11928 0.01383 -0.01383 62 7PY 0.06965 0.02895 0.01383 0.11928 -0.01383 63 7PZ -0.06965 -0.02895 -0.01383 -0.01383 0.11928 64 8PX -0.00355 -0.00668 0.01953 -0.02411 0.02411 65 8PY -0.00355 -0.00668 -0.02411 0.01953 0.02411 66 8PZ 0.00355 0.00668 0.02411 0.02411 0.01953 67 9D 0 0.00000 0.00000 0.00535 0.00535 0.01070 68 9D+1 -0.00227 0.00216 0.01031 0.00098 -0.01031 69 9D-1 -0.00227 0.00216 0.00098 0.01031 -0.01031 70 9D+2 0.00000 0.00000 -0.00926 0.00926 0.00000 71 9D-2 0.00227 -0.00216 -0.01031 -0.01031 0.00098 72 4 C 1S 0.00392 0.00644 0.00358 0.00051 -0.00051 73 2S 0.00894 0.01271 0.00771 0.00117 -0.00117 74 3S -0.01677 -0.01741 -0.01157 -0.00348 0.00348 75 4S -0.02424 -0.02875 -0.02483 0.00000 0.00000 76 5S -0.02875 -0.01597 -0.01992 -0.00760 0.00760 77 6PX -0.02483 -0.01992 -0.00885 -0.00769 0.00769 78 6PY 0.00000 0.00760 0.00769 -0.00095 0.00516 79 6PZ 0.00000 -0.00760 -0.00769 0.00516 -0.00095 80 7PX -0.01881 -0.01461 -0.00543 -0.00436 0.00436 81 7PY -0.00340 0.00280 0.00620 -0.00340 0.00765 82 7PZ 0.00340 -0.00280 -0.00620 0.00765 -0.00340 83 8PX -0.01229 -0.00784 0.00529 -0.00686 0.00686 84 8PY -0.00551 -0.00693 -0.00449 0.00110 0.00482 85 8PZ 0.00551 0.00693 0.00449 0.00482 0.00110 86 9D 0 0.00152 0.00150 -0.00005 0.00165 -0.00021 87 9D+1 -0.00031 -0.00001 0.00142 -0.00082 0.00098 88 9D-1 -0.00303 -0.00249 -0.00131 -0.00125 0.00125 89 9D+2 -0.00263 -0.00259 0.00009 -0.00120 0.00202 90 9D-2 0.00031 0.00001 -0.00142 0.00098 -0.00082 91 5 C 1S 0.00392 0.00644 0.00051 0.00358 -0.00051 92 2S 0.00894 0.01271 0.00117 0.00771 -0.00117 93 3S -0.01677 -0.01741 -0.00348 -0.01157 0.00348 94 4S -0.02424 -0.02875 0.00000 -0.02483 0.00000 95 5S -0.02875 -0.01597 -0.00760 -0.01992 0.00760 96 6PX 0.00000 0.00760 -0.00095 0.00769 0.00516 97 6PY -0.02483 -0.01992 -0.00769 -0.00885 0.00769 98 6PZ 0.00000 -0.00760 0.00516 -0.00769 -0.00095 99 7PX -0.00340 0.00280 -0.00340 0.00620 0.00765 100 7PY -0.01881 -0.01461 -0.00436 -0.00543 0.00436 101 7PZ 0.00340 -0.00280 0.00765 -0.00620 -0.00340 102 8PX -0.00551 -0.00693 0.00110 -0.00449 0.00482 103 8PY -0.01229 -0.00784 -0.00686 0.00529 0.00686 104 8PZ 0.00551 0.00693 0.00482 0.00449 0.00110 105 9D 0 0.00152 0.00150 0.00165 -0.00005 -0.00021 106 9D+1 -0.00303 -0.00249 -0.00125 -0.00131 0.00125 107 9D-1 -0.00031 -0.00001 -0.00082 0.00142 0.00098 108 9D+2 0.00263 0.00259 0.00120 -0.00009 -0.00202 109 9D-2 0.00031 0.00001 0.00098 -0.00142 -0.00082 110 6 O 1S -0.00023 -0.00253 -0.00003 -0.00003 0.00094 111 2S -0.00104 -0.00448 -0.00006 -0.00006 0.00227 112 3S 0.00323 0.00343 -0.00017 -0.00017 -0.00444 113 4S 0.00481 0.00367 0.00194 0.00194 -0.00241 114 5S 0.00956 0.00797 0.00209 0.00209 -0.01318 115 6PX 0.00424 0.00301 0.00300 0.00891 0.00449 116 6PY 0.00424 0.00301 0.00891 0.00300 0.00449 117 6PZ -0.01899 -0.02350 -0.00994 -0.00994 0.00602 118 7PX 0.00372 0.00283 0.00206 0.00689 0.00315 119 7PY 0.00372 0.00283 0.00689 0.00206 0.00315 120 7PZ -0.01633 -0.01936 -0.00911 -0.00911 0.00460 121 8PX 0.00436 0.00426 0.00093 0.00703 0.00293 122 8PY 0.00436 0.00426 0.00703 0.00093 0.00293 123 8PZ -0.01741 -0.01723 -0.00900 -0.00900 0.00273 124 9D 0 -0.00026 0.00028 0.00004 0.00004 0.00007 125 9D+1 0.00005 0.00035 0.00004 0.00003 -0.00010 126 9D-1 0.00005 0.00035 0.00003 0.00004 -0.00010 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00028 0.00011 0.00001 0.00001 -0.00015 129 7 O 1S -0.00023 -0.00253 -0.00094 -0.00003 0.00003 130 2S -0.00104 -0.00448 -0.00227 -0.00006 0.00006 131 3S 0.00323 0.00343 0.00444 -0.00017 0.00017 132 4S 0.00481 0.00367 0.00241 0.00194 -0.00194 133 5S 0.00956 0.00797 0.01318 0.00209 -0.00209 134 6PX 0.01899 0.02350 0.00602 0.00994 -0.00994 135 6PY 0.00424 0.00301 -0.00449 0.00300 -0.00891 136 6PZ -0.00424 -0.00301 0.00449 -0.00891 0.00300 137 7PX 0.01633 0.01936 0.00460 0.00911 -0.00911 138 7PY 0.00372 0.00283 -0.00315 0.00206 -0.00689 139 7PZ -0.00372 -0.00283 0.00315 -0.00689 0.00206 140 8PX 0.01741 0.01723 0.00273 0.00900 -0.00900 141 8PY 0.00436 0.00426 -0.00293 0.00093 -0.00703 142 8PZ -0.00436 -0.00426 0.00293 -0.00703 0.00093 143 9D 0 0.00013 -0.00014 0.00003 -0.00002 0.00002 144 9D+1 0.00005 0.00035 0.00010 0.00003 -0.00004 145 9D-1 -0.00028 -0.00011 -0.00015 -0.00001 0.00001 146 9D+2 -0.00023 0.00024 -0.00006 0.00004 -0.00004 147 9D-2 -0.00005 -0.00035 -0.00010 -0.00004 0.00003 148 8 O 1S -0.00023 -0.00253 -0.00003 -0.00094 0.00003 149 2S -0.00104 -0.00448 -0.00006 -0.00227 0.00006 150 3S 0.00323 0.00343 -0.00017 0.00444 0.00017 151 4S 0.00481 0.00367 0.00194 0.00241 -0.00194 152 5S 0.00956 0.00797 0.00209 0.01318 -0.00209 153 6PX 0.00424 0.00301 0.00300 -0.00449 -0.00891 154 6PY 0.01899 0.02350 0.00994 0.00602 -0.00994 155 6PZ -0.00424 -0.00301 -0.00891 0.00449 0.00300 156 7PX 0.00372 0.00283 0.00206 -0.00315 -0.00689 157 7PY 0.01633 0.01936 0.00911 0.00460 -0.00911 158 7PZ -0.00372 -0.00283 -0.00689 0.00315 0.00206 159 8PX 0.00436 0.00426 0.00093 -0.00293 -0.00703 160 8PY 0.01741 0.01723 0.00900 0.00273 -0.00900 161 8PZ -0.00436 -0.00426 -0.00703 0.00293 0.00093 162 9D 0 0.00013 -0.00014 -0.00002 0.00003 0.00002 163 9D+1 -0.00028 -0.00011 -0.00001 -0.00015 0.00001 164 9D-1 0.00005 0.00035 0.00003 0.00010 -0.00004 165 9D+2 0.00023 -0.00024 -0.00004 0.00006 0.00004 166 9D-2 -0.00005 -0.00035 -0.00004 -0.00010 0.00003 167 9 O 1S 0.00920 -0.00393 0.01368 0.01368 -0.01368 168 2S 0.02545 -0.00392 0.03246 0.03246 -0.03246 169 3S -0.05264 -0.01009 -0.05157 -0.05157 0.05157 170 4S -0.08107 -0.00878 -0.04703 -0.04703 0.04703 171 5S -0.12127 -0.02833 -0.00866 -0.00866 0.00866 172 6PX 0.03766 -0.01822 0.04187 -0.14574 0.14574 173 6PY 0.03766 -0.01822 -0.14574 0.04187 0.14574 174 6PZ -0.03766 0.01822 0.14574 0.14574 0.04187 175 7PX 0.02262 -0.01449 0.04396 -0.11191 0.11191 176 7PY 0.02262 -0.01449 -0.11191 0.04396 0.11191 177 7PZ -0.02262 0.01449 0.11191 0.11191 0.04396 178 8PX 0.00054 -0.00978 0.02314 -0.04872 0.04872 179 8PY 0.00054 -0.00978 -0.04872 0.02314 0.04872 180 8PZ -0.00054 0.00978 0.04872 0.04872 0.02314 181 9D 0 0.00000 0.00000 -0.00481 -0.00481 -0.00962 182 9D+1 -0.00309 0.00074 0.00296 0.01129 -0.00296 183 9D-1 -0.00309 0.00074 0.01129 0.00296 -0.00296 184 9D+2 0.00000 0.00000 0.00833 -0.00833 0.00000 185 9D-2 0.00309 -0.00074 -0.00296 -0.00296 0.01129 61 62 63 64 65 61 7PX 0.08270 62 7PY -0.00026 0.08270 63 7PZ 0.00026 0.00026 0.08270 64 8PX 0.01932 -0.01689 0.01689 0.01890 65 8PY -0.01689 0.01932 0.01689 -0.00450 0.01890 66 8PZ 0.01689 0.01689 0.01932 0.00450 0.00450 67 9D 0 0.00386 0.00386 0.00773 0.00035 0.00035 68 9D+1 0.00494 -0.00180 -0.00494 -0.00109 -0.00184 69 9D-1 -0.00180 0.00494 -0.00494 -0.00184 -0.00109 70 9D+2 -0.00669 0.00669 0.00000 -0.00060 0.00060 71 9D-2 -0.00494 -0.00494 -0.00180 0.00109 0.00109 72 4 C 1S 0.00261 -0.00057 0.00057 0.00215 -0.00159 73 2S 0.00580 -0.00078 0.00078 0.00445 -0.00244 74 3S -0.00908 -0.00094 0.00094 -0.00615 0.00082 75 4S -0.01881 0.00340 -0.00340 -0.01229 0.00551 76 5S -0.01461 -0.00280 0.00280 -0.00784 0.00693 77 6PX -0.00543 -0.00620 0.00620 0.00529 0.00449 78 6PY 0.00436 -0.00340 0.00765 0.00686 0.00110 79 6PZ -0.00436 0.00765 -0.00340 -0.00686 0.00482 80 7PX -0.00375 -0.00454 0.00454 0.00547 0.00287 81 7PY 0.00454 -0.00395 0.00793 0.00655 0.00149 82 7PZ -0.00454 0.00793 -0.00395 -0.00655 0.00363 83 8PX 0.00547 -0.00655 0.00655 0.01226 -0.00163 84 8PY -0.00287 0.00149 0.00363 0.00163 0.00655 85 8PZ 0.00287 0.00363 0.00149 -0.00163 0.00000 86 9D 0 -0.00043 0.00101 0.00007 -0.00108 0.00067 87 9D+1 0.00132 -0.00078 0.00076 0.00149 -0.00099 88 9D-1 -0.00047 -0.00042 0.00042 0.00039 0.00071 89 9D+2 0.00075 -0.00050 0.00112 0.00188 0.00036 90 9D-2 -0.00132 0.00076 -0.00078 -0.00149 0.00103 91 5 C 1S -0.00057 0.00261 0.00057 -0.00159 0.00215 92 2S -0.00078 0.00580 0.00078 -0.00244 0.00445 93 3S -0.00094 -0.00908 0.00094 0.00082 -0.00615 94 4S 0.00340 -0.01881 -0.00340 0.00551 -0.01229 95 5S -0.00280 -0.01461 0.00280 0.00693 -0.00784 96 6PX -0.00340 0.00436 0.00765 0.00110 0.00686 97 6PY -0.00620 -0.00543 0.00620 0.00449 0.00529 98 6PZ 0.00765 -0.00436 -0.00340 0.00482 -0.00686 99 7PX -0.00395 0.00454 0.00793 0.00149 0.00655 100 7PY -0.00454 -0.00375 0.00454 0.00287 0.00547 101 7PZ 0.00793 -0.00454 -0.00395 0.00363 -0.00655 102 8PX 0.00149 -0.00287 0.00363 0.00655 0.00163 103 8PY -0.00655 0.00547 0.00655 -0.00163 0.01226 104 8PZ 0.00363 0.00287 0.00149 0.00000 -0.00163 105 9D 0 0.00101 -0.00043 0.00007 0.00067 -0.00108 106 9D+1 -0.00042 -0.00047 0.00042 0.00071 0.00039 107 9D-1 -0.00078 0.00132 0.00076 -0.00099 0.00149 108 9D+2 0.00050 -0.00075 -0.00112 -0.00036 -0.00188 109 9D-2 0.00076 -0.00132 -0.00078 0.00103 -0.00149 110 6 O 1S 0.00018 0.00018 0.00028 0.00015 0.00015 111 2S 0.00047 0.00047 0.00088 0.00043 0.00043 112 3S -0.00109 -0.00109 -0.00261 -0.00125 -0.00125 113 4S 0.00051 0.00051 -0.00084 0.00004 0.00004 114 5S -0.00026 -0.00026 -0.01023 -0.00484 -0.00484 115 6PX 0.00161 0.00532 0.00518 0.00165 0.00655 116 6PY 0.00532 0.00161 0.00518 0.00655 0.00165 117 6PZ -0.00110 -0.00110 -0.00253 0.00236 0.00236 118 7PX 0.00092 0.00395 0.00394 0.00102 0.00505 119 7PY 0.00395 0.00092 0.00394 0.00505 0.00102 120 7PZ -0.00158 -0.00158 -0.00234 0.00158 0.00158 121 8PX 0.00034 0.00484 0.00377 -0.00120 0.00453 122 8PY 0.00484 0.00034 0.00377 0.00453 -0.00120 123 8PZ -0.00407 -0.00407 -0.00199 0.00145 0.00145 124 9D 0 -0.00028 -0.00028 0.00029 0.00015 0.00015 125 9D+1 -0.00016 -0.00012 0.00010 -0.00010 -0.00003 126 9D-1 -0.00012 -0.00016 0.00010 -0.00003 -0.00010 127 9D+2 -0.00005 0.00005 0.00000 -0.00008 0.00008 128 9D-2 0.00010 0.00010 -0.00014 -0.00019 -0.00019 129 7 O 1S -0.00028 0.00018 -0.00018 -0.00037 0.00015 130 2S -0.00088 0.00047 -0.00047 -0.00092 0.00043 131 3S 0.00261 -0.00109 0.00109 0.00197 -0.00125 132 4S 0.00084 0.00051 -0.00051 0.00114 0.00004 133 5S 0.01023 -0.00026 0.00026 0.00739 -0.00484 134 6PX -0.00253 0.00110 -0.00110 -0.00897 -0.00236 135 6PY -0.00518 0.00161 -0.00532 -0.00681 0.00165 136 6PZ 0.00518 -0.00532 0.00161 0.00681 -0.00655 137 7PX -0.00234 0.00158 -0.00158 -0.00751 -0.00158 138 7PY -0.00394 0.00092 -0.00395 -0.00547 0.00102 139 7PZ 0.00394 -0.00395 0.00092 0.00547 -0.00505 140 8PX -0.00199 0.00407 -0.00407 -0.00943 -0.00145 141 8PY -0.00377 0.00034 -0.00484 -0.00642 -0.00120 142 8PZ 0.00377 -0.00484 0.00034 0.00642 -0.00453 143 9D 0 0.00015 0.00019 -0.00009 0.00002 -0.00001 144 9D+1 -0.00010 -0.00012 0.00016 -0.00006 -0.00003 145 9D-1 -0.00014 -0.00010 0.00010 0.00003 0.00019 146 9D+2 -0.00025 -0.00022 0.00027 -0.00003 0.00017 147 9D-2 0.00010 0.00016 -0.00012 0.00006 0.00010 148 8 O 1S 0.00018 -0.00028 -0.00018 0.00015 -0.00037 149 2S 0.00047 -0.00088 -0.00047 0.00043 -0.00092 150 3S -0.00109 0.00261 0.00109 -0.00125 0.00197 151 4S 0.00051 0.00084 -0.00051 0.00004 0.00114 152 5S -0.00026 0.01023 0.00026 -0.00484 0.00739 153 6PX 0.00161 -0.00518 -0.00532 0.00165 -0.00681 154 6PY 0.00110 -0.00253 -0.00110 -0.00236 -0.00897 155 6PZ -0.00532 0.00518 0.00161 -0.00655 0.00681 156 7PX 0.00092 -0.00394 -0.00395 0.00102 -0.00547 157 7PY 0.00158 -0.00234 -0.00158 -0.00158 -0.00751 158 7PZ -0.00395 0.00394 0.00092 -0.00505 0.00547 159 8PX 0.00034 -0.00377 -0.00484 -0.00120 -0.00642 160 8PY 0.00407 -0.00199 -0.00407 -0.00145 -0.00943 161 8PZ -0.00484 0.00377 0.00034 -0.00453 0.00642 162 9D 0 0.00019 0.00015 -0.00009 -0.00001 0.00002 163 9D+1 -0.00010 -0.00014 0.00010 0.00019 0.00003 164 9D-1 -0.00012 -0.00010 0.00016 -0.00003 -0.00006 165 9D+2 0.00022 0.00025 -0.00027 -0.00017 0.00003 166 9D-2 0.00016 0.00010 -0.00012 0.00010 0.00006 167 9 O 1S 0.00158 0.00158 -0.00158 0.00327 0.00327 168 2S 0.00462 0.00462 -0.00462 0.00546 0.00546 169 3S -0.01081 -0.01081 0.01081 -0.00192 -0.00192 170 4S -0.00477 -0.00477 0.00477 -0.00688 -0.00688 171 5S -0.00203 -0.00203 0.00203 -0.00243 -0.00243 172 6PX 0.05551 -0.08452 0.08452 0.03480 0.00293 173 6PY -0.08452 0.05551 0.08452 0.00293 0.03480 174 6PZ 0.08452 0.08452 0.05551 -0.00293 -0.00293 175 7PX 0.05003 -0.06635 0.06635 0.02747 0.00081 176 7PY -0.06635 0.05003 0.06635 0.00081 0.02747 177 7PZ 0.06635 0.06635 0.05003 -0.00081 -0.00081 178 8PX 0.02164 -0.02995 0.02995 0.00681 0.00346 179 8PY -0.02995 0.02164 0.02995 0.00346 0.00681 180 8PZ 0.02995 0.02995 0.02164 -0.00346 -0.00346 181 9D 0 -0.00367 -0.00367 -0.00734 -0.00116 -0.00116 182 9D+1 0.00022 0.00657 -0.00022 -0.00141 0.00061 183 9D-1 0.00657 0.00022 -0.00022 0.00061 -0.00141 184 9D+2 0.00636 -0.00636 0.00000 0.00201 -0.00201 185 9D-2 -0.00022 -0.00022 0.00657 0.00141 0.00141 66 67 68 69 70 66 8PZ 0.01890 67 9D 0 0.00070 0.00253 68 9D+1 0.00109 -0.00072 0.00191 69 9D-1 0.00109 -0.00072 0.00064 0.00191 70 9D+2 0.00000 0.00000 -0.00125 0.00125 0.00253 71 9D-2 -0.00184 -0.00144 -0.00064 -0.00064 0.00000 72 4 C 1S 0.00159 -0.00029 -0.00013 0.00061 0.00051 73 2S 0.00244 -0.00062 -0.00025 0.00127 0.00108 74 3S -0.00082 0.00101 0.00037 -0.00194 -0.00175 75 4S -0.00551 0.00152 0.00031 -0.00303 -0.00263 76 5S -0.00693 0.00150 0.00001 -0.00249 -0.00259 77 6PX -0.00449 -0.00005 -0.00142 -0.00131 0.00009 78 6PY 0.00482 -0.00165 -0.00082 0.00125 0.00120 79 6PZ 0.00110 0.00021 0.00098 -0.00125 -0.00202 80 7PX -0.00287 -0.00043 -0.00132 -0.00047 0.00075 81 7PY 0.00363 -0.00101 -0.00078 0.00042 0.00050 82 7PZ 0.00149 -0.00007 0.00076 -0.00042 -0.00112 83 8PX 0.00163 -0.00108 -0.00149 0.00039 0.00188 84 8PY 0.00000 -0.00067 -0.00099 -0.00071 -0.00036 85 8PZ 0.00655 -0.00065 0.00103 0.00071 -0.00040 86 9D 0 0.00065 -0.00006 0.00017 0.00007 -0.00017 87 9D+1 0.00103 -0.00017 -0.00009 0.00019 0.00029 88 9D-1 -0.00071 0.00007 -0.00019 -0.00023 -0.00012 89 9D+2 0.00040 -0.00017 -0.00029 -0.00012 0.00014 90 9D-2 -0.00099 0.00017 0.00002 -0.00019 -0.00029 91 5 C 1S 0.00159 -0.00029 0.00061 -0.00013 -0.00051 92 2S 0.00244 -0.00062 0.00127 -0.00025 -0.00108 93 3S -0.00082 0.00101 -0.00194 0.00037 0.00175 94 4S -0.00551 0.00152 -0.00303 0.00031 0.00263 95 5S -0.00693 0.00150 -0.00249 0.00001 0.00259 96 6PX 0.00482 -0.00165 0.00125 -0.00082 -0.00120 97 6PY -0.00449 -0.00005 -0.00131 -0.00142 -0.00009 98 6PZ 0.00110 0.00021 -0.00125 0.00098 0.00202 99 7PX 0.00363 -0.00101 0.00042 -0.00078 -0.00050 100 7PY -0.00287 -0.00043 -0.00047 -0.00132 -0.00075 101 7PZ 0.00149 -0.00007 -0.00042 0.00076 0.00112 102 8PX 0.00000 -0.00067 -0.00071 -0.00099 0.00036 103 8PY 0.00163 -0.00108 0.00039 -0.00149 -0.00188 104 8PZ 0.00655 -0.00065 0.00071 0.00103 0.00040 105 9D 0 0.00065 -0.00006 0.00007 0.00017 0.00017 106 9D+1 -0.00071 0.00007 -0.00023 -0.00019 0.00012 107 9D-1 0.00103 -0.00017 0.00019 -0.00009 -0.00029 108 9D+2 -0.00040 0.00017 0.00012 0.00029 0.00014 109 9D-2 -0.00099 0.00017 -0.00019 0.00002 0.00029 110 6 O 1S 0.00037 -0.00017 -0.00005 -0.00005 0.00000 111 2S 0.00092 -0.00041 -0.00008 -0.00008 0.00000 112 3S -0.00197 0.00070 0.00006 0.00006 0.00000 113 4S -0.00114 0.00095 -0.00002 -0.00002 0.00000 114 5S -0.00739 0.00221 0.00024 0.00024 0.00000 115 6PX 0.00681 -0.00128 0.00076 0.00076 -0.00055 116 6PY 0.00681 -0.00128 0.00076 0.00076 0.00055 117 6PZ -0.00897 0.00024 -0.00156 -0.00156 0.00000 118 7PX 0.00547 -0.00107 0.00064 0.00061 -0.00046 119 7PY 0.00547 -0.00107 0.00061 0.00064 0.00046 120 7PZ -0.00751 0.00012 -0.00126 -0.00126 0.00000 121 8PX 0.00642 -0.00114 0.00081 0.00087 -0.00062 122 8PY 0.00642 -0.00114 0.00087 0.00081 0.00062 123 8PZ -0.00943 0.00084 -0.00169 -0.00169 0.00000 124 9D 0 0.00003 0.00002 -0.00002 -0.00002 0.00000 125 9D+1 0.00006 0.00003 0.00000 -0.00001 -0.00001 126 9D-1 0.00006 0.00003 -0.00001 0.00000 0.00001 127 9D+2 0.00000 0.00000 0.00001 -0.00001 -0.00003 128 9D-2 0.00003 0.00001 0.00001 0.00001 0.00000 129 7 O 1S -0.00015 0.00009 -0.00005 -0.00017 -0.00015 130 2S -0.00043 0.00021 -0.00008 -0.00038 -0.00036 131 3S 0.00125 -0.00035 0.00006 0.00063 0.00061 132 4S -0.00004 -0.00048 -0.00002 0.00079 0.00082 133 5S 0.00484 -0.00111 0.00024 0.00185 0.00192 134 6PX 0.00236 0.00012 0.00156 0.00164 -0.00020 135 6PY -0.00655 0.00111 0.00076 -0.00030 -0.00083 136 6PZ 0.00165 -0.00016 -0.00076 0.00030 0.00138 137 7PX 0.00158 0.00006 0.00126 0.00140 -0.00010 138 7PY -0.00505 0.00093 0.00061 -0.00026 -0.00070 139 7PZ 0.00102 -0.00014 -0.00064 0.00026 0.00116 140 8PX 0.00145 0.00042 0.00169 0.00096 -0.00073 141 8PY -0.00453 0.00111 0.00087 -0.00016 -0.00068 142 8PZ -0.00120 -0.00003 -0.00081 0.00016 0.00130 143 9D 0 0.00014 -0.00002 0.00002 -0.00001 -0.00002 144 9D+1 0.00010 -0.00003 0.00000 0.00004 0.00002 145 9D-1 -0.00019 0.00000 -0.00001 -0.00001 -0.00001 146 9D+2 -0.00009 -0.00002 -0.00001 0.00003 0.00001 147 9D-2 -0.00003 0.00000 0.00001 -0.00004 -0.00003 148 8 O 1S -0.00015 0.00009 -0.00017 -0.00005 0.00015 149 2S -0.00043 0.00021 -0.00038 -0.00008 0.00036 150 3S 0.00125 -0.00035 0.00063 0.00006 -0.00061 151 4S -0.00004 -0.00048 0.00079 -0.00002 -0.00082 152 5S 0.00484 -0.00111 0.00185 0.00024 -0.00192 153 6PX -0.00655 0.00111 -0.00030 0.00076 0.00083 154 6PY 0.00236 0.00012 0.00164 0.00156 0.00020 155 6PZ 0.00165 -0.00016 0.00030 -0.00076 -0.00138 156 7PX -0.00505 0.00093 -0.00026 0.00061 0.00070 157 7PY 0.00158 0.00006 0.00140 0.00126 0.00010 158 7PZ 0.00102 -0.00014 0.00026 -0.00064 -0.00116 159 8PX -0.00453 0.00111 -0.00016 0.00087 0.00068 160 8PY 0.00145 0.00042 0.00096 0.00169 0.00073 161 8PZ -0.00120 -0.00003 0.00016 -0.00081 -0.00130 162 9D 0 0.00014 -0.00002 -0.00001 0.00002 0.00002 163 9D+1 -0.00019 0.00000 -0.00001 -0.00001 0.00001 164 9D-1 0.00010 -0.00003 0.00004 0.00000 -0.00002 165 9D+2 0.00009 0.00002 -0.00003 0.00001 0.00001 166 9D-2 -0.00003 0.00000 -0.00004 0.00001 0.00003 167 9 O 1S -0.00327 0.00000 0.00230 0.00230 0.00000 168 2S -0.00546 0.00000 0.00538 0.00538 0.00000 169 3S 0.00192 0.00000 -0.00810 -0.00810 0.00000 170 4S 0.00688 0.00000 -0.00819 -0.00819 0.00000 171 5S 0.00243 0.00000 -0.00127 -0.00127 0.00000 172 6PX -0.00293 0.01184 -0.00192 -0.02231 -0.02051 173 6PY -0.00293 0.01184 -0.02231 -0.00192 0.02051 174 6PZ 0.03480 0.02368 0.00192 0.00192 0.00000 175 7PX -0.00081 0.00981 -0.00051 -0.01741 -0.01700 176 7PY -0.00081 0.00981 -0.01741 -0.00051 0.01700 177 7PZ 0.02747 0.01963 0.00051 0.00051 0.00000 178 8PX -0.00346 0.00587 0.00116 -0.00889 -0.01017 179 8PY -0.00346 0.00587 -0.00889 0.00116 0.01017 180 8PZ 0.00681 0.01174 -0.00116 -0.00116 0.00000 181 9D 0 -0.00232 -0.00151 0.00044 0.00044 0.00000 182 9D+1 0.00141 0.00043 0.00015 0.00090 0.00075 183 9D-1 0.00141 0.00043 0.00090 0.00015 -0.00075 184 9D+2 0.00000 0.00000 0.00075 -0.00075 -0.00151 185 9D-2 0.00061 0.00087 -0.00090 -0.00090 0.00000 71 72 73 74 75 71 9D-2 0.00191 72 4 C 1S 0.00013 0.45853 73 2S 0.00025 0.61728 0.84594 74 3S -0.00037 -0.04652 -0.12825 0.29416 75 4S -0.00031 -0.11681 -0.22889 0.32001 0.42574 76 5S -0.00001 -0.01277 -0.03665 0.08242 0.12493 77 6PX 0.00142 -0.00688 -0.01448 0.01378 0.09284 78 6PY 0.00098 0.00688 0.01448 -0.01378 -0.09284 79 6PZ -0.00082 -0.00688 -0.01448 0.01378 0.09284 80 7PX 0.00132 -0.01059 -0.02189 0.02951 0.06965 81 7PY 0.00076 0.01059 0.02189 -0.02951 -0.06965 82 7PZ -0.00078 -0.01059 -0.02189 0.02951 0.06965 83 8PX 0.00149 0.00286 0.00301 0.00482 -0.00355 84 8PY 0.00103 -0.00286 -0.00301 -0.00482 0.00355 85 8PZ -0.00099 0.00286 0.00301 0.00482 -0.00355 86 9D 0 -0.00017 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00002 -0.00103 -0.00311 0.00849 0.00227 88 9D-1 0.00019 0.00103 0.00311 -0.00849 -0.00227 89 9D+2 0.00029 0.00000 0.00000 0.00000 0.00000 90 9D-2 -0.00009 0.00103 0.00311 -0.00849 -0.00227 91 5 C 1S 0.00013 -0.00073 -0.00166 0.00321 0.00392 92 2S 0.00025 -0.00166 -0.00368 0.00678 0.00894 93 3S -0.00037 0.00321 0.00678 -0.01111 -0.01677 94 4S -0.00031 0.00392 0.00894 -0.01677 -0.02424 95 5S -0.00001 0.00644 0.01271 -0.01741 -0.02875 96 6PX 0.00098 -0.00051 -0.00117 0.00348 0.00000 97 6PY 0.00142 0.00051 0.00117 -0.00348 0.00000 98 6PZ -0.00082 0.00358 0.00771 -0.01157 -0.02483 99 7PX 0.00076 0.00057 0.00078 0.00094 -0.00340 100 7PY 0.00132 -0.00057 -0.00078 -0.00094 0.00340 101 7PZ -0.00078 0.00261 0.00580 -0.00908 -0.01881 102 8PX 0.00103 0.00159 0.00244 -0.00082 -0.00551 103 8PY 0.00149 -0.00159 -0.00244 0.00082 0.00551 104 8PZ -0.00099 0.00215 0.00445 -0.00615 -0.01229 105 9D 0 -0.00017 0.00059 0.00125 -0.00202 -0.00304 106 9D+1 0.00019 -0.00013 -0.00025 0.00037 0.00031 107 9D-1 0.00002 0.00013 0.00025 -0.00037 -0.00031 108 9D+2 -0.00029 0.00000 0.00000 0.00000 0.00000 109 9D-2 -0.00009 0.00061 0.00127 -0.00194 -0.00303 110 6 O 1S 0.00017 0.00015 0.00033 -0.00071 -0.00023 111 2S 0.00038 0.00037 0.00082 -0.00161 -0.00104 112 3S -0.00063 -0.00069 -0.00146 0.00249 0.00323 113 4S -0.00079 -0.00078 -0.00187 0.00379 0.00481 114 5S -0.00185 -0.00274 -0.00466 0.00388 0.00956 115 6PX 0.00030 -0.00103 -0.00227 0.00403 0.00424 116 6PY 0.00030 0.00388 0.00859 -0.01604 -0.01899 117 6PZ 0.00164 -0.00103 -0.00227 0.00403 0.00424 118 7PX 0.00026 -0.00075 -0.00181 0.00368 0.00372 119 7PY 0.00026 0.00328 0.00728 -0.01353 -0.01633 120 7PZ 0.00140 -0.00075 -0.00181 0.00368 0.00372 121 8PX 0.00016 -0.00098 -0.00200 0.00297 0.00436 122 8PY 0.00016 0.00360 0.00741 -0.01136 -0.01741 123 8PZ 0.00096 -0.00098 -0.00200 0.00297 0.00436 124 9D 0 -0.00003 0.00001 0.00003 -0.00012 0.00013 125 9D+1 -0.00004 -0.00002 -0.00004 -0.00002 0.00028 126 9D-1 -0.00004 -0.00005 -0.00009 0.00020 0.00005 127 9D+2 0.00000 0.00002 0.00006 -0.00022 0.00023 128 9D-2 -0.00001 -0.00005 -0.00009 0.00020 0.00005 129 7 O 1S 0.00005 0.00285 0.00540 -0.00641 0.00920 130 2S 0.00008 0.00635 0.01209 -0.01534 0.02545 131 3S -0.00006 -0.00612 -0.01248 0.02081 -0.05264 132 4S 0.00002 -0.01156 -0.01551 0.00003 -0.08107 133 5S -0.00024 0.02989 0.05796 -0.08294 -0.12127 134 6PX -0.00156 -0.02235 -0.04740 0.08889 0.03766 135 6PY -0.00076 0.02235 0.04740 -0.08889 -0.03766 136 6PZ 0.00076 -0.02235 -0.04740 0.08889 0.03766 137 7PX -0.00126 -0.01711 -0.03445 0.05943 0.02262 138 7PY -0.00064 0.01711 0.03445 -0.05943 -0.02262 139 7PZ 0.00061 -0.01711 -0.03445 0.05943 0.02262 140 8PX -0.00169 -0.00163 -0.00490 0.01538 0.00054 141 8PY -0.00081 0.00163 0.00490 -0.01538 -0.00054 142 8PZ 0.00087 -0.00163 -0.00490 0.01538 0.00054 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00001 -0.00256 -0.00480 0.00689 0.00309 145 9D-1 0.00001 0.00256 0.00480 -0.00689 -0.00309 146 9D+2 0.00002 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00256 0.00480 -0.00689 -0.00309 148 8 O 1S 0.00005 0.00015 0.00033 -0.00071 -0.00023 149 2S 0.00008 0.00037 0.00082 -0.00161 -0.00104 150 3S -0.00006 -0.00069 -0.00146 0.00249 0.00323 151 4S 0.00002 -0.00078 -0.00187 0.00379 0.00481 152 5S -0.00024 -0.00274 -0.00466 0.00388 0.00956 153 6PX -0.00076 -0.00103 -0.00227 0.00403 0.00424 154 6PY -0.00156 0.00103 0.00227 -0.00403 -0.00424 155 6PZ 0.00076 -0.00388 -0.00859 0.01604 0.01899 156 7PX -0.00064 -0.00075 -0.00181 0.00368 0.00372 157 7PY -0.00126 0.00075 0.00181 -0.00368 -0.00372 158 7PZ 0.00061 -0.00328 -0.00728 0.01353 0.01633 159 8PX -0.00081 -0.00098 -0.00200 0.00297 0.00436 160 8PY -0.00169 0.00098 0.00200 -0.00297 -0.00436 161 8PZ 0.00087 -0.00360 -0.00741 0.01136 0.01741 162 9D 0 0.00000 -0.00003 -0.00007 0.00025 -0.00026 163 9D+1 0.00001 0.00005 0.00009 -0.00020 -0.00005 164 9D-1 0.00001 -0.00005 -0.00009 0.00020 0.00005 165 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00002 0.00004 0.00002 -0.00028 167 9 O 1S -0.00230 0.00015 0.00033 -0.00071 -0.00023 168 2S -0.00538 0.00037 0.00082 -0.00161 -0.00104 169 3S 0.00810 -0.00069 -0.00146 0.00249 0.00323 170 4S 0.00819 -0.00078 -0.00187 0.00379 0.00481 171 5S 0.00127 -0.00274 -0.00466 0.00388 0.00956 172 6PX 0.00192 -0.00388 -0.00859 0.01604 0.01899 173 6PY 0.00192 0.00103 0.00227 -0.00403 -0.00424 174 6PZ -0.02231 -0.00103 -0.00227 0.00403 0.00424 175 7PX 0.00051 -0.00328 -0.00728 0.01353 0.01633 176 7PY 0.00051 0.00075 0.00181 -0.00368 -0.00372 177 7PZ -0.01741 -0.00075 -0.00181 0.00368 0.00372 178 8PX -0.00116 -0.00360 -0.00741 0.01136 0.01741 179 8PY -0.00116 0.00098 0.00200 -0.00297 -0.00436 180 8PZ -0.00889 -0.00098 -0.00200 0.00297 0.00436 181 9D 0 0.00087 0.00001 0.00003 -0.00012 0.00013 182 9D+1 -0.00090 0.00005 0.00009 -0.00020 -0.00005 183 9D-1 -0.00090 0.00002 0.00004 0.00002 -0.00028 184 9D+2 0.00000 -0.00002 -0.00006 0.00022 -0.00023 185 9D-2 0.00015 -0.00005 -0.00009 0.00020 0.00005 76 77 78 79 80 76 5S 0.05455 77 6PX 0.04628 0.18738 78 6PY -0.04628 -0.05249 0.18738 79 6PZ 0.04628 0.05249 -0.05249 0.18738 80 7PX 0.02895 0.11928 -0.01383 0.01383 0.08270 81 7PY -0.02895 -0.01383 0.11928 -0.01383 0.00026 82 7PZ 0.02895 0.01383 -0.01383 0.11928 -0.00026 83 8PX -0.00668 0.01953 0.02411 -0.02411 0.01932 84 8PY 0.00668 0.02411 0.01953 0.02411 0.01689 85 8PZ -0.00668 -0.02411 0.02411 0.01953 -0.01689 86 9D 0 0.00000 0.00535 -0.00535 -0.01070 0.00386 87 9D+1 -0.00216 -0.01031 0.00098 -0.01031 -0.00494 88 9D-1 0.00216 0.00098 -0.01031 0.01031 -0.00180 89 9D+2 0.00000 -0.00926 -0.00926 0.00000 -0.00669 90 9D-2 0.00216 0.01031 -0.01031 0.00098 0.00494 91 5 C 1S 0.00644 0.00051 -0.00051 0.00358 -0.00057 92 2S 0.01271 0.00117 -0.00117 0.00771 -0.00078 93 3S -0.01741 -0.00348 0.00348 -0.01157 -0.00094 94 4S -0.02875 0.00000 0.00000 -0.02483 0.00340 95 5S -0.01597 -0.00760 0.00760 -0.01992 -0.00280 96 6PX 0.00760 -0.00095 0.00516 0.00769 -0.00340 97 6PY -0.00760 0.00516 -0.00095 -0.00769 0.00765 98 6PZ -0.01992 -0.00769 0.00769 -0.00885 -0.00620 99 7PX 0.00280 -0.00340 0.00765 0.00620 -0.00395 100 7PY -0.00280 0.00765 -0.00340 -0.00620 0.00793 101 7PZ -0.01461 -0.00436 0.00436 -0.00543 -0.00454 102 8PX -0.00693 0.00110 0.00482 -0.00449 0.00149 103 8PY 0.00693 0.00482 0.00110 0.00449 0.00363 104 8PZ -0.00784 -0.00686 0.00686 0.00529 -0.00655 105 9D 0 -0.00299 -0.00186 0.00186 0.00011 -0.00093 106 9D+1 0.00001 0.00098 -0.00082 -0.00142 0.00076 107 9D-1 -0.00001 -0.00082 0.00098 0.00142 -0.00078 108 9D+2 0.00000 -0.00083 -0.00083 0.00000 -0.00062 109 9D-2 -0.00249 -0.00125 0.00125 -0.00131 -0.00042 110 6 O 1S -0.00253 -0.00003 0.00094 -0.00003 0.00018 111 2S -0.00448 -0.00006 0.00227 -0.00006 0.00047 112 3S 0.00343 -0.00017 -0.00444 -0.00017 -0.00109 113 4S 0.00367 0.00194 -0.00241 0.00194 0.00051 114 5S 0.00797 0.00209 -0.01318 0.00209 -0.00026 115 6PX 0.00301 0.00300 0.00449 0.00891 0.00161 116 6PY -0.02350 -0.00994 0.00602 -0.00994 -0.00110 117 6PZ 0.00301 0.00891 0.00449 0.00300 0.00532 118 7PX 0.00283 0.00206 0.00315 0.00689 0.00092 119 7PY -0.01936 -0.00911 0.00460 -0.00911 -0.00158 120 7PZ 0.00283 0.00689 0.00315 0.00206 0.00395 121 8PX 0.00426 0.00093 0.00293 0.00703 0.00034 122 8PY -0.01723 -0.00900 0.00273 -0.00900 -0.00407 123 8PZ 0.00426 0.00703 0.00293 0.00093 0.00484 124 9D 0 -0.00014 -0.00002 -0.00003 -0.00002 0.00019 125 9D+1 0.00011 0.00001 -0.00015 0.00001 0.00010 126 9D-1 0.00035 0.00003 -0.00010 0.00004 -0.00012 127 9D+2 -0.00024 -0.00004 -0.00006 -0.00004 0.00022 128 9D-2 0.00035 0.00004 -0.00010 0.00003 -0.00016 129 7 O 1S -0.00393 0.01368 -0.01368 0.01368 0.00158 130 2S -0.00392 0.03246 -0.03246 0.03246 0.00462 131 3S -0.01009 -0.05157 0.05157 -0.05157 -0.01081 132 4S -0.00878 -0.04703 0.04703 -0.04703 -0.00477 133 5S -0.02833 -0.00866 0.00866 -0.00866 -0.00203 134 6PX -0.01822 0.04187 0.14574 -0.14574 0.05551 135 6PY 0.01822 0.14574 0.04187 0.14574 0.08452 136 6PZ -0.01822 -0.14574 0.14574 0.04187 -0.08452 137 7PX -0.01449 0.04396 0.11191 -0.11191 0.05003 138 7PY 0.01449 0.11191 0.04396 0.11191 0.06635 139 7PZ -0.01449 -0.11191 0.11191 0.04396 -0.06635 140 8PX -0.00978 0.02314 0.04872 -0.04872 0.02164 141 8PY 0.00978 0.04872 0.02314 0.04872 0.02995 142 8PZ -0.00978 -0.04872 0.04872 0.02314 -0.02995 143 9D 0 0.00000 -0.00481 0.00481 0.00962 -0.00367 144 9D+1 -0.00074 -0.00296 0.01129 -0.00296 -0.00022 145 9D-1 0.00074 0.01129 -0.00296 0.00296 0.00657 146 9D+2 0.00000 0.00833 0.00833 0.00000 0.00636 147 9D-2 0.00074 0.00296 -0.00296 0.01129 0.00022 148 8 O 1S -0.00253 -0.00003 0.00003 -0.00094 0.00018 149 2S -0.00448 -0.00006 0.00006 -0.00227 0.00047 150 3S 0.00343 -0.00017 0.00017 0.00444 -0.00109 151 4S 0.00367 0.00194 -0.00194 0.00241 0.00051 152 5S 0.00797 0.00209 -0.00209 0.01318 -0.00026 153 6PX 0.00301 0.00300 -0.00891 -0.00449 0.00161 154 6PY -0.00301 -0.00891 0.00300 0.00449 -0.00532 155 6PZ 0.02350 0.00994 -0.00994 0.00602 0.00110 156 7PX 0.00283 0.00206 -0.00689 -0.00315 0.00092 157 7PY -0.00283 -0.00689 0.00206 0.00315 -0.00395 158 7PZ 0.01936 0.00911 -0.00911 0.00460 0.00158 159 8PX 0.00426 0.00093 -0.00703 -0.00293 0.00034 160 8PY -0.00426 -0.00703 0.00093 0.00293 -0.00484 161 8PZ 0.01723 0.00900 -0.00900 0.00273 0.00407 162 9D 0 0.00028 0.00004 -0.00004 -0.00007 -0.00028 163 9D+1 -0.00035 -0.00004 0.00003 -0.00010 0.00016 164 9D-1 0.00035 0.00003 -0.00004 0.00010 -0.00012 165 9D+2 0.00000 0.00000 0.00000 0.00000 -0.00005 166 9D-2 -0.00011 -0.00001 0.00001 -0.00015 -0.00010 167 9 O 1S -0.00253 -0.00094 0.00003 -0.00003 -0.00028 168 2S -0.00448 -0.00227 0.00006 -0.00006 -0.00088 169 3S 0.00343 0.00444 0.00017 -0.00017 0.00261 170 4S 0.00367 0.00241 -0.00194 0.00194 0.00084 171 5S 0.00797 0.01318 -0.00209 0.00209 0.01023 172 6PX 0.02350 0.00602 -0.00994 0.00994 -0.00253 173 6PY -0.00301 0.00449 0.00300 -0.00891 0.00518 174 6PZ 0.00301 -0.00449 -0.00891 0.00300 -0.00518 175 7PX 0.01936 0.00460 -0.00911 0.00911 -0.00234 176 7PY -0.00283 0.00315 0.00206 -0.00689 0.00394 177 7PZ 0.00283 -0.00315 -0.00689 0.00206 -0.00394 178 8PX 0.01723 0.00273 -0.00900 0.00900 -0.00199 179 8PY -0.00426 0.00293 0.00093 -0.00703 0.00377 180 8PZ 0.00426 -0.00293 -0.00703 0.00093 -0.00377 181 9D 0 -0.00014 0.00003 0.00002 -0.00002 0.00015 182 9D+1 -0.00035 -0.00010 0.00003 -0.00004 0.00010 183 9D-1 -0.00011 -0.00015 0.00001 -0.00001 -0.00014 184 9D+2 0.00024 -0.00006 -0.00004 0.00004 -0.00025 185 9D-2 0.00035 0.00010 -0.00004 0.00003 -0.00010 81 82 83 84 85 81 7PY 0.08270 82 7PZ 0.00026 0.08270 83 8PX 0.01689 -0.01689 0.01890 84 8PY 0.01932 0.01689 0.00450 0.01890 85 8PZ 0.01689 0.01932 -0.00450 0.00450 0.01890 86 9D 0 -0.00386 -0.00773 0.00035 -0.00035 -0.00070 87 9D+1 -0.00180 -0.00494 0.00109 -0.00184 0.00109 88 9D-1 -0.00494 0.00494 -0.00184 0.00109 -0.00109 89 9D+2 -0.00669 0.00000 -0.00060 -0.00060 0.00000 90 9D-2 -0.00494 -0.00180 -0.00109 0.00109 -0.00184 91 5 C 1S 0.00057 0.00261 -0.00159 0.00159 0.00215 92 2S 0.00078 0.00580 -0.00244 0.00244 0.00445 93 3S 0.00094 -0.00908 0.00082 -0.00082 -0.00615 94 4S -0.00340 -0.01881 0.00551 -0.00551 -0.01229 95 5S 0.00280 -0.01461 0.00693 -0.00693 -0.00784 96 6PX 0.00765 0.00436 0.00110 0.00482 0.00686 97 6PY -0.00340 -0.00436 0.00482 0.00110 -0.00686 98 6PZ 0.00620 -0.00543 0.00449 -0.00449 0.00529 99 7PX 0.00793 0.00454 0.00149 0.00363 0.00655 100 7PY -0.00395 -0.00454 0.00363 0.00149 -0.00655 101 7PZ 0.00454 -0.00375 0.00287 -0.00287 0.00547 102 8PX 0.00363 -0.00287 0.00655 0.00000 0.00163 103 8PY 0.00149 0.00287 0.00000 0.00655 -0.00163 104 8PZ 0.00655 0.00547 -0.00163 0.00163 0.01226 105 9D 0 0.00093 0.00086 -0.00002 0.00002 0.00217 106 9D+1 -0.00078 -0.00132 0.00103 -0.00099 -0.00149 107 9D-1 0.00076 0.00132 -0.00099 0.00103 0.00149 108 9D+2 -0.00062 0.00000 -0.00076 -0.00076 0.00000 109 9D-2 0.00042 -0.00047 0.00071 -0.00071 0.00039 110 6 O 1S 0.00028 0.00018 0.00015 0.00037 0.00015 111 2S 0.00088 0.00047 0.00043 0.00092 0.00043 112 3S -0.00261 -0.00109 -0.00125 -0.00197 -0.00125 113 4S -0.00084 0.00051 0.00004 -0.00114 0.00004 114 5S -0.01023 -0.00026 -0.00484 -0.00739 -0.00484 115 6PX 0.00518 0.00532 0.00165 0.00681 0.00655 116 6PY -0.00253 -0.00110 0.00236 -0.00897 0.00236 117 6PZ 0.00518 0.00161 0.00655 0.00681 0.00165 118 7PX 0.00394 0.00395 0.00102 0.00547 0.00505 119 7PY -0.00234 -0.00158 0.00158 -0.00751 0.00158 120 7PZ 0.00394 0.00092 0.00505 0.00547 0.00102 121 8PX 0.00377 0.00484 -0.00120 0.00642 0.00453 122 8PY -0.00199 -0.00407 0.00145 -0.00943 0.00145 123 8PZ 0.00377 0.00034 0.00453 0.00642 -0.00120 124 9D 0 -0.00015 0.00009 -0.00001 -0.00002 -0.00014 125 9D+1 -0.00014 0.00010 -0.00019 0.00003 -0.00019 126 9D-1 0.00010 -0.00016 -0.00003 0.00006 -0.00010 127 9D+2 -0.00025 0.00027 -0.00017 -0.00003 -0.00009 128 9D-2 0.00010 -0.00012 -0.00010 0.00006 -0.00003 129 7 O 1S -0.00158 0.00158 0.00327 -0.00327 0.00327 130 2S -0.00462 0.00462 0.00546 -0.00546 0.00546 131 3S 0.01081 -0.01081 -0.00192 0.00192 -0.00192 132 4S 0.00477 -0.00477 -0.00688 0.00688 -0.00688 133 5S 0.00203 -0.00203 -0.00243 0.00243 -0.00243 134 6PX 0.08452 -0.08452 0.03480 -0.00293 0.00293 135 6PY 0.05551 0.08452 -0.00293 0.03480 -0.00293 136 6PZ 0.08452 0.05551 0.00293 -0.00293 0.03480 137 7PX 0.06635 -0.06635 0.02747 -0.00081 0.00081 138 7PY 0.05003 0.06635 -0.00081 0.02747 -0.00081 139 7PZ 0.06635 0.05003 0.00081 -0.00081 0.02747 140 8PX 0.02995 -0.02995 0.00681 -0.00346 0.00346 141 8PY 0.02164 0.02995 -0.00346 0.00681 -0.00346 142 8PZ 0.02995 0.02164 0.00346 -0.00346 0.00681 143 9D 0 0.00367 0.00734 -0.00116 0.00116 0.00232 144 9D+1 0.00657 -0.00022 0.00141 0.00061 0.00141 145 9D-1 -0.00022 0.00022 0.00061 0.00141 -0.00141 146 9D+2 0.00636 0.00000 0.00201 0.00201 0.00000 147 9D-2 -0.00022 0.00657 -0.00141 0.00141 0.00061 148 8 O 1S -0.00018 -0.00028 0.00015 -0.00015 -0.00037 149 2S -0.00047 -0.00088 0.00043 -0.00043 -0.00092 150 3S 0.00109 0.00261 -0.00125 0.00125 0.00197 151 4S -0.00051 0.00084 0.00004 -0.00004 0.00114 152 5S 0.00026 0.01023 -0.00484 0.00484 0.00739 153 6PX -0.00532 -0.00518 0.00165 -0.00655 -0.00681 154 6PY 0.00161 0.00518 -0.00655 0.00165 0.00681 155 6PZ -0.00110 -0.00253 -0.00236 0.00236 -0.00897 156 7PX -0.00395 -0.00394 0.00102 -0.00505 -0.00547 157 7PY 0.00092 0.00394 -0.00505 0.00102 0.00547 158 7PZ -0.00158 -0.00234 -0.00158 0.00158 -0.00751 159 8PX -0.00484 -0.00377 -0.00120 -0.00453 -0.00642 160 8PY 0.00034 0.00377 -0.00453 -0.00120 0.00642 161 8PZ -0.00407 -0.00199 -0.00145 0.00145 -0.00943 162 9D 0 0.00028 -0.00029 0.00015 -0.00015 -0.00003 163 9D+1 -0.00012 0.00010 0.00010 -0.00003 0.00006 164 9D-1 0.00016 -0.00010 -0.00003 0.00010 -0.00006 165 9D+2 -0.00005 0.00000 -0.00008 -0.00008 0.00000 166 9D-2 0.00010 -0.00014 0.00019 -0.00019 0.00003 167 9 O 1S -0.00018 0.00018 -0.00037 -0.00015 0.00015 168 2S -0.00047 0.00047 -0.00092 -0.00043 0.00043 169 3S 0.00109 -0.00109 0.00197 0.00125 -0.00125 170 4S -0.00051 0.00051 0.00114 -0.00004 0.00004 171 5S 0.00026 -0.00026 0.00739 0.00484 -0.00484 172 6PX -0.00110 0.00110 -0.00897 0.00236 -0.00236 173 6PY 0.00161 -0.00532 0.00681 0.00165 -0.00655 174 6PZ -0.00532 0.00161 -0.00681 -0.00655 0.00165 175 7PX -0.00158 0.00158 -0.00751 0.00158 -0.00158 176 7PY 0.00092 -0.00395 0.00547 0.00102 -0.00505 177 7PZ -0.00395 0.00092 -0.00547 -0.00505 0.00102 178 8PX -0.00407 0.00407 -0.00943 0.00145 -0.00145 179 8PY 0.00034 -0.00484 0.00642 -0.00120 -0.00453 180 8PZ -0.00484 0.00034 -0.00642 -0.00453 -0.00120 181 9D 0 -0.00019 0.00009 0.00002 0.00001 -0.00014 182 9D+1 -0.00012 0.00016 0.00006 -0.00003 0.00010 183 9D-1 0.00010 -0.00010 0.00003 -0.00019 0.00019 184 9D+2 0.00022 -0.00027 -0.00003 -0.00017 0.00009 185 9D-2 0.00016 -0.00012 -0.00006 0.00010 -0.00003 86 87 88 89 90 86 9D 0 0.00253 87 9D+1 0.00072 0.00191 88 9D-1 -0.00072 -0.00064 0.00191 89 9D+2 0.00000 0.00125 0.00125 0.00253 90 9D-2 0.00144 -0.00064 0.00064 0.00000 0.00191 91 5 C 1S 0.00059 0.00013 -0.00013 0.00000 0.00061 92 2S 0.00125 0.00025 -0.00025 0.00000 0.00127 93 3S -0.00202 -0.00037 0.00037 0.00000 -0.00194 94 4S -0.00304 -0.00031 0.00031 0.00000 -0.00303 95 5S -0.00299 -0.00001 0.00001 0.00000 -0.00249 96 6PX 0.00186 0.00098 -0.00082 0.00083 0.00125 97 6PY -0.00186 -0.00082 0.00098 0.00083 -0.00125 98 6PZ 0.00011 0.00142 -0.00142 0.00000 -0.00131 99 7PX 0.00093 0.00076 -0.00078 0.00062 0.00042 100 7PY -0.00093 -0.00078 0.00076 0.00062 -0.00042 101 7PZ 0.00086 0.00132 -0.00132 0.00000 -0.00047 102 8PX 0.00002 0.00103 -0.00099 0.00076 -0.00071 103 8PY -0.00002 -0.00099 0.00103 0.00076 0.00071 104 8PZ 0.00217 0.00149 -0.00149 0.00000 0.00039 105 9D 0 0.00023 0.00034 -0.00034 0.00000 -0.00014 106 9D+1 -0.00034 -0.00009 0.00002 0.00000 -0.00019 107 9D-1 0.00034 0.00002 -0.00009 0.00000 0.00019 108 9D+2 0.00000 0.00000 0.00000 -0.00016 0.00000 109 9D-2 -0.00014 0.00019 -0.00019 0.00000 -0.00023 110 6 O 1S 0.00009 0.00017 -0.00005 0.00015 -0.00005 111 2S 0.00021 0.00038 -0.00008 0.00036 -0.00008 112 3S -0.00035 -0.00063 0.00006 -0.00061 0.00006 113 4S -0.00048 -0.00079 -0.00002 -0.00082 -0.00002 114 5S -0.00111 -0.00185 0.00024 -0.00192 0.00024 115 6PX 0.00111 0.00030 0.00076 0.00083 0.00076 116 6PY -0.00012 0.00164 -0.00156 -0.00020 -0.00156 117 6PZ 0.00016 0.00030 0.00076 0.00138 0.00076 118 7PX 0.00093 0.00026 0.00061 0.00070 0.00064 119 7PY -0.00006 0.00140 -0.00126 -0.00010 -0.00126 120 7PZ 0.00014 0.00026 0.00064 0.00116 0.00061 121 8PX 0.00111 0.00016 0.00087 0.00068 0.00081 122 8PY -0.00042 0.00096 -0.00169 -0.00073 -0.00169 123 8PZ 0.00003 0.00016 0.00081 0.00130 0.00087 124 9D 0 -0.00002 0.00001 0.00002 0.00002 0.00000 125 9D+1 0.00000 -0.00001 0.00001 -0.00001 0.00001 126 9D-1 -0.00003 -0.00004 0.00000 -0.00002 -0.00001 127 9D+2 0.00002 0.00003 0.00001 0.00001 0.00002 128 9D-2 0.00000 -0.00004 -0.00001 -0.00003 0.00000 129 7 O 1S 0.00000 -0.00230 0.00230 0.00000 0.00230 130 2S 0.00000 -0.00538 0.00538 0.00000 0.00538 131 3S 0.00000 0.00810 -0.00810 0.00000 -0.00810 132 4S 0.00000 0.00819 -0.00819 0.00000 -0.00819 133 5S 0.00000 0.00127 -0.00127 0.00000 -0.00127 134 6PX 0.01184 0.00192 -0.02231 -0.02051 -0.00192 135 6PY -0.01184 -0.02231 0.00192 -0.02051 0.00192 136 6PZ -0.02368 0.00192 -0.00192 0.00000 -0.02231 137 7PX 0.00981 0.00051 -0.01741 -0.01700 -0.00051 138 7PY -0.00981 -0.01741 0.00051 -0.01700 0.00051 139 7PZ -0.01963 0.00051 -0.00051 0.00000 -0.01741 140 8PX 0.00587 -0.00116 -0.00889 -0.01017 0.00116 141 8PY -0.00587 -0.00889 -0.00116 -0.01017 -0.00116 142 8PZ -0.01174 -0.00116 0.00116 0.00000 -0.00889 143 9D 0 -0.00151 -0.00044 0.00044 0.00000 -0.00087 144 9D+1 -0.00043 0.00015 -0.00090 -0.00075 -0.00090 145 9D-1 0.00043 -0.00090 0.00015 -0.00075 0.00090 146 9D+2 0.00000 -0.00075 -0.00075 -0.00151 0.00000 147 9D-2 -0.00087 -0.00090 0.00090 0.00000 0.00015 148 8 O 1S -0.00017 0.00005 -0.00005 0.00000 -0.00017 149 2S -0.00041 0.00008 -0.00008 0.00000 -0.00038 150 3S 0.00070 -0.00006 0.00006 0.00000 0.00063 151 4S 0.00095 0.00002 -0.00002 0.00000 0.00079 152 5S 0.00221 -0.00024 0.00024 0.00000 0.00185 153 6PX -0.00128 -0.00076 0.00076 -0.00055 -0.00030 154 6PY 0.00128 0.00076 -0.00076 -0.00055 0.00030 155 6PZ -0.00024 -0.00156 0.00156 0.00000 0.00164 156 7PX -0.00107 -0.00064 0.00061 -0.00046 -0.00026 157 7PY 0.00107 0.00061 -0.00064 -0.00046 0.00026 158 7PZ -0.00012 -0.00126 0.00126 0.00000 0.00140 159 8PX -0.00114 -0.00081 0.00087 -0.00062 -0.00016 160 8PY 0.00114 0.00087 -0.00081 -0.00062 0.00016 161 8PZ -0.00084 -0.00169 0.00169 0.00000 0.00096 162 9D 0 0.00002 0.00002 -0.00002 0.00000 0.00003 163 9D+1 -0.00003 0.00000 0.00001 0.00001 -0.00004 164 9D-1 0.00003 0.00001 0.00000 0.00001 0.00004 165 9D+2 0.00000 -0.00001 -0.00001 -0.00003 0.00000 166 9D-2 -0.00001 0.00001 -0.00001 0.00000 -0.00001 167 9 O 1S 0.00009 0.00005 -0.00017 -0.00015 -0.00005 168 2S 0.00021 0.00008 -0.00038 -0.00036 -0.00008 169 3S -0.00035 -0.00006 0.00063 0.00061 0.00006 170 4S -0.00048 0.00002 0.00079 0.00082 -0.00002 171 5S -0.00111 -0.00024 0.00185 0.00192 0.00024 172 6PX 0.00012 -0.00156 0.00164 -0.00020 0.00156 173 6PY -0.00111 0.00076 0.00030 0.00083 -0.00076 174 6PZ 0.00016 -0.00076 -0.00030 -0.00138 0.00076 175 7PX 0.00006 -0.00126 0.00140 -0.00010 0.00126 176 7PY -0.00093 0.00061 0.00026 0.00070 -0.00064 177 7PZ 0.00014 -0.00064 -0.00026 -0.00116 0.00061 178 8PX 0.00042 -0.00169 0.00096 -0.00073 0.00169 179 8PY -0.00111 0.00087 0.00016 0.00068 -0.00081 180 8PZ 0.00003 -0.00081 -0.00016 -0.00130 0.00087 181 9D 0 -0.00002 -0.00002 -0.00001 -0.00002 0.00000 182 9D+1 0.00003 0.00000 -0.00004 -0.00002 0.00001 183 9D-1 0.00000 0.00001 -0.00001 -0.00001 -0.00001 184 9D+2 -0.00002 0.00001 0.00003 0.00001 -0.00002 185 9D-2 0.00000 0.00001 0.00004 0.00003 0.00000 91 92 93 94 95 91 5 C 1S 0.45853 92 2S 0.61728 0.84594 93 3S -0.04652 -0.12825 0.29416 94 4S -0.11681 -0.22889 0.32001 0.42574 95 5S -0.01277 -0.03665 0.08242 0.12493 0.05455 96 6PX 0.00688 0.01448 -0.01378 -0.09284 -0.04628 97 6PY -0.00688 -0.01448 0.01378 0.09284 0.04628 98 6PZ -0.00688 -0.01448 0.01378 0.09284 0.04628 99 7PX 0.01059 0.02189 -0.02951 -0.06965 -0.02895 100 7PY -0.01059 -0.02189 0.02951 0.06965 0.02895 101 7PZ -0.01059 -0.02189 0.02951 0.06965 0.02895 102 8PX -0.00286 -0.00301 -0.00482 0.00355 0.00668 103 8PY 0.00286 0.00301 0.00482 -0.00355 -0.00668 104 8PZ 0.00286 0.00301 0.00482 -0.00355 -0.00668 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00103 0.00311 -0.00849 -0.00227 0.00216 107 9D-1 -0.00103 -0.00311 0.00849 0.00227 -0.00216 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00103 0.00311 -0.00849 -0.00227 0.00216 110 6 O 1S 0.00015 0.00033 -0.00071 -0.00023 -0.00253 111 2S 0.00037 0.00082 -0.00161 -0.00104 -0.00448 112 3S -0.00069 -0.00146 0.00249 0.00323 0.00343 113 4S -0.00078 -0.00187 0.00379 0.00481 0.00367 114 5S -0.00274 -0.00466 0.00388 0.00956 0.00797 115 6PX 0.00388 0.00859 -0.01604 -0.01899 -0.02350 116 6PY -0.00103 -0.00227 0.00403 0.00424 0.00301 117 6PZ -0.00103 -0.00227 0.00403 0.00424 0.00301 118 7PX 0.00328 0.00728 -0.01353 -0.01633 -0.01936 119 7PY -0.00075 -0.00181 0.00368 0.00372 0.00283 120 7PZ -0.00075 -0.00181 0.00368 0.00372 0.00283 121 8PX 0.00360 0.00741 -0.01136 -0.01741 -0.01723 122 8PY -0.00098 -0.00200 0.00297 0.00436 0.00426 123 8PZ -0.00098 -0.00200 0.00297 0.00436 0.00426 124 9D 0 0.00001 0.00003 -0.00012 0.00013 -0.00014 125 9D+1 -0.00005 -0.00009 0.00020 0.00005 0.00035 126 9D-1 -0.00002 -0.00004 -0.00002 0.00028 0.00011 127 9D+2 -0.00002 -0.00006 0.00022 -0.00023 0.00024 128 9D-2 -0.00005 -0.00009 0.00020 0.00005 0.00035 129 7 O 1S 0.00015 0.00033 -0.00071 -0.00023 -0.00253 130 2S 0.00037 0.00082 -0.00161 -0.00104 -0.00448 131 3S -0.00069 -0.00146 0.00249 0.00323 0.00343 132 4S -0.00078 -0.00187 0.00379 0.00481 0.00367 133 5S -0.00274 -0.00466 0.00388 0.00956 0.00797 134 6PX 0.00103 0.00227 -0.00403 -0.00424 -0.00301 135 6PY -0.00103 -0.00227 0.00403 0.00424 0.00301 136 6PZ -0.00388 -0.00859 0.01604 0.01899 0.02350 137 7PX 0.00075 0.00181 -0.00368 -0.00372 -0.00283 138 7PY -0.00075 -0.00181 0.00368 0.00372 0.00283 139 7PZ -0.00328 -0.00728 0.01353 0.01633 0.01936 140 8PX 0.00098 0.00200 -0.00297 -0.00436 -0.00426 141 8PY -0.00098 -0.00200 0.00297 0.00436 0.00426 142 8PZ -0.00360 -0.00741 0.01136 0.01741 0.01723 143 9D 0 -0.00003 -0.00007 0.00025 -0.00026 0.00028 144 9D+1 -0.00005 -0.00009 0.00020 0.00005 0.00035 145 9D-1 0.00005 0.00009 -0.00020 -0.00005 -0.00035 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00002 0.00004 0.00002 -0.00028 -0.00011 148 8 O 1S 0.00285 0.00540 -0.00641 0.00920 -0.00393 149 2S 0.00635 0.01209 -0.01534 0.02545 -0.00392 150 3S -0.00612 -0.01248 0.02081 -0.05264 -0.01009 151 4S -0.01156 -0.01551 0.00003 -0.08107 -0.00878 152 5S 0.02989 0.05796 -0.08294 -0.12127 -0.02833 153 6PX 0.02235 0.04740 -0.08889 -0.03766 0.01822 154 6PY -0.02235 -0.04740 0.08889 0.03766 -0.01822 155 6PZ -0.02235 -0.04740 0.08889 0.03766 -0.01822 156 7PX 0.01711 0.03445 -0.05943 -0.02262 0.01449 157 7PY -0.01711 -0.03445 0.05943 0.02262 -0.01449 158 7PZ -0.01711 -0.03445 0.05943 0.02262 -0.01449 159 8PX 0.00163 0.00490 -0.01538 -0.00054 0.00978 160 8PY -0.00163 -0.00490 0.01538 0.00054 -0.00978 161 8PZ -0.00163 -0.00490 0.01538 0.00054 -0.00978 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00256 0.00480 -0.00689 -0.00309 0.00074 164 9D-1 -0.00256 -0.00480 0.00689 0.00309 -0.00074 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00256 0.00480 -0.00689 -0.00309 0.00074 167 9 O 1S 0.00015 0.00033 -0.00071 -0.00023 -0.00253 168 2S 0.00037 0.00082 -0.00161 -0.00104 -0.00448 169 3S -0.00069 -0.00146 0.00249 0.00323 0.00343 170 4S -0.00078 -0.00187 0.00379 0.00481 0.00367 171 5S -0.00274 -0.00466 0.00388 0.00956 0.00797 172 6PX 0.00103 0.00227 -0.00403 -0.00424 -0.00301 173 6PY -0.00388 -0.00859 0.01604 0.01899 0.02350 174 6PZ -0.00103 -0.00227 0.00403 0.00424 0.00301 175 7PX 0.00075 0.00181 -0.00368 -0.00372 -0.00283 176 7PY -0.00328 -0.00728 0.01353 0.01633 0.01936 177 7PZ -0.00075 -0.00181 0.00368 0.00372 0.00283 178 8PX 0.00098 0.00200 -0.00297 -0.00436 -0.00426 179 8PY -0.00360 -0.00741 0.01136 0.01741 0.01723 180 8PZ -0.00098 -0.00200 0.00297 0.00436 0.00426 181 9D 0 0.00001 0.00003 -0.00012 0.00013 -0.00014 182 9D+1 0.00002 0.00004 0.00002 -0.00028 -0.00011 183 9D-1 0.00005 0.00009 -0.00020 -0.00005 -0.00035 184 9D+2 0.00002 0.00006 -0.00022 0.00023 -0.00024 185 9D-2 -0.00005 -0.00009 0.00020 0.00005 0.00035 96 97 98 99 100 96 6PX 0.18738 97 6PY -0.05249 0.18738 98 6PZ -0.05249 0.05249 0.18738 99 7PX 0.11928 -0.01383 -0.01383 0.08270 100 7PY -0.01383 0.11928 0.01383 0.00026 0.08270 101 7PZ -0.01383 0.01383 0.11928 0.00026 -0.00026 102 8PX 0.01953 0.02411 0.02411 0.01932 0.01689 103 8PY 0.02411 0.01953 -0.02411 0.01689 0.01932 104 8PZ 0.02411 -0.02411 0.01953 0.01689 -0.01689 105 9D 0 -0.00535 0.00535 -0.01070 -0.00386 0.00386 106 9D+1 -0.01031 0.00098 0.01031 -0.00494 -0.00180 107 9D-1 0.00098 -0.01031 -0.01031 -0.00180 -0.00494 108 9D+2 0.00926 0.00926 0.00000 0.00669 0.00669 109 9D-2 -0.01031 0.01031 0.00098 -0.00494 0.00494 110 6 O 1S 0.00094 -0.00003 -0.00003 0.00028 0.00018 111 2S 0.00227 -0.00006 -0.00006 0.00088 0.00047 112 3S -0.00444 -0.00017 -0.00017 -0.00261 -0.00109 113 4S -0.00241 0.00194 0.00194 -0.00084 0.00051 114 5S -0.01318 0.00209 0.00209 -0.01023 -0.00026 115 6PX 0.00602 -0.00994 -0.00994 -0.00253 -0.00110 116 6PY 0.00449 0.00300 0.00891 0.00518 0.00161 117 6PZ 0.00449 0.00891 0.00300 0.00518 0.00532 118 7PX 0.00460 -0.00911 -0.00911 -0.00234 -0.00158 119 7PY 0.00315 0.00206 0.00689 0.00394 0.00092 120 7PZ 0.00315 0.00689 0.00206 0.00394 0.00395 121 8PX 0.00273 -0.00900 -0.00900 -0.00199 -0.00407 122 8PY 0.00293 0.00093 0.00703 0.00377 0.00034 123 8PZ 0.00293 0.00703 0.00093 0.00377 0.00484 124 9D 0 -0.00003 -0.00002 -0.00002 -0.00015 0.00019 125 9D+1 -0.00010 0.00003 0.00004 0.00010 -0.00012 126 9D-1 -0.00015 0.00001 0.00001 -0.00014 0.00010 127 9D+2 0.00006 0.00004 0.00004 0.00025 -0.00022 128 9D-2 -0.00010 0.00004 0.00003 0.00010 -0.00016 129 7 O 1S 0.00003 -0.00003 -0.00094 -0.00018 0.00018 130 2S 0.00006 -0.00006 -0.00227 -0.00047 0.00047 131 3S 0.00017 -0.00017 0.00444 0.00109 -0.00109 132 4S -0.00194 0.00194 0.00241 -0.00051 0.00051 133 5S -0.00209 0.00209 0.01318 0.00026 -0.00026 134 6PX 0.00300 -0.00891 0.00449 0.00161 -0.00532 135 6PY -0.00891 0.00300 -0.00449 -0.00532 0.00161 136 6PZ -0.00994 0.00994 0.00602 -0.00110 0.00110 137 7PX 0.00206 -0.00689 0.00315 0.00092 -0.00395 138 7PY -0.00689 0.00206 -0.00315 -0.00395 0.00092 139 7PZ -0.00911 0.00911 0.00460 -0.00158 0.00158 140 8PX 0.00093 -0.00703 0.00293 0.00034 -0.00484 141 8PY -0.00703 0.00093 -0.00293 -0.00484 0.00034 142 8PZ -0.00900 0.00900 0.00273 -0.00407 0.00407 143 9D 0 -0.00004 0.00004 -0.00007 0.00028 -0.00028 144 9D+1 -0.00004 0.00003 0.00010 0.00016 -0.00012 145 9D-1 0.00003 -0.00004 -0.00010 -0.00012 0.00016 146 9D+2 0.00000 0.00000 0.00000 0.00005 0.00005 147 9D-2 0.00001 -0.00001 -0.00015 0.00010 -0.00010 148 8 O 1S -0.01368 0.01368 0.01368 -0.00158 0.00158 149 2S -0.03246 0.03246 0.03246 -0.00462 0.00462 150 3S 0.05157 -0.05157 -0.05157 0.01081 -0.01081 151 4S 0.04703 -0.04703 -0.04703 0.00477 -0.00477 152 5S 0.00866 -0.00866 -0.00866 0.00203 -0.00203 153 6PX 0.04187 0.14574 0.14574 0.05551 0.08452 154 6PY 0.14574 0.04187 -0.14574 0.08452 0.05551 155 6PZ 0.14574 -0.14574 0.04187 0.08452 -0.08452 156 7PX 0.04396 0.11191 0.11191 0.05003 0.06635 157 7PY 0.11191 0.04396 -0.11191 0.06635 0.05003 158 7PZ 0.11191 -0.11191 0.04396 0.06635 -0.06635 159 8PX 0.02314 0.04872 0.04872 0.02164 0.02995 160 8PY 0.04872 0.02314 -0.04872 0.02995 0.02164 161 8PZ 0.04872 -0.04872 0.02314 0.02995 -0.02995 162 9D 0 0.00481 -0.00481 0.00962 0.00367 -0.00367 163 9D+1 -0.00296 0.01129 0.00296 -0.00022 0.00657 164 9D-1 0.01129 -0.00296 -0.00296 0.00657 -0.00022 165 9D+2 -0.00833 -0.00833 0.00000 -0.00636 -0.00636 166 9D-2 -0.00296 0.00296 0.01129 -0.00022 0.00022 167 9 O 1S 0.00003 -0.00094 -0.00003 -0.00018 -0.00028 168 2S 0.00006 -0.00227 -0.00006 -0.00047 -0.00088 169 3S 0.00017 0.00444 -0.00017 0.00109 0.00261 170 4S -0.00194 0.00241 0.00194 -0.00051 0.00084 171 5S -0.00209 0.01318 0.00209 0.00026 0.01023 172 6PX 0.00300 0.00449 -0.00891 0.00161 0.00518 173 6PY -0.00994 0.00602 0.00994 -0.00110 -0.00253 174 6PZ -0.00891 -0.00449 0.00300 -0.00532 -0.00518 175 7PX 0.00206 0.00315 -0.00689 0.00092 0.00394 176 7PY -0.00911 0.00460 0.00911 -0.00158 -0.00234 177 7PZ -0.00689 -0.00315 0.00206 -0.00395 -0.00394 178 8PX 0.00093 0.00293 -0.00703 0.00034 0.00377 179 8PY -0.00900 0.00273 0.00900 -0.00407 -0.00199 180 8PZ -0.00703 -0.00293 0.00093 -0.00484 -0.00377 181 9D 0 0.00002 0.00003 -0.00002 -0.00019 0.00015 182 9D+1 0.00001 -0.00015 -0.00001 0.00010 -0.00014 183 9D-1 0.00003 -0.00010 -0.00004 -0.00012 0.00010 184 9D+2 0.00004 0.00006 -0.00004 -0.00022 0.00025 185 9D-2 -0.00004 0.00010 0.00003 0.00016 -0.00010 101 102 103 104 105 101 7PZ 0.08270 102 8PX 0.01689 0.01890 103 8PY -0.01689 0.00450 0.01890 104 8PZ 0.01932 0.00450 -0.00450 0.01890 105 9D 0 -0.00773 -0.00035 0.00035 -0.00070 0.00253 106 9D+1 0.00494 0.00109 -0.00184 -0.00109 -0.00072 107 9D-1 -0.00494 -0.00184 0.00109 0.00109 0.00072 108 9D+2 0.00000 0.00060 0.00060 0.00000 0.00000 109 9D-2 -0.00180 0.00109 -0.00109 -0.00184 0.00144 110 6 O 1S 0.00018 0.00037 0.00015 0.00015 0.00009 111 2S 0.00047 0.00092 0.00043 0.00043 0.00021 112 3S -0.00109 -0.00197 -0.00125 -0.00125 -0.00035 113 4S 0.00051 -0.00114 0.00004 0.00004 -0.00048 114 5S -0.00026 -0.00739 -0.00484 -0.00484 -0.00111 115 6PX -0.00110 -0.00897 0.00236 0.00236 -0.00012 116 6PY 0.00532 0.00681 0.00165 0.00655 0.00111 117 6PZ 0.00161 0.00681 0.00655 0.00165 0.00016 118 7PX -0.00158 -0.00751 0.00158 0.00158 -0.00006 119 7PY 0.00395 0.00547 0.00102 0.00505 0.00093 120 7PZ 0.00092 0.00547 0.00505 0.00102 0.00014 121 8PX -0.00407 -0.00943 0.00145 0.00145 -0.00042 122 8PY 0.00484 0.00642 -0.00120 0.00453 0.00111 123 8PZ 0.00034 0.00642 0.00453 -0.00120 0.00003 124 9D 0 0.00009 -0.00002 -0.00001 -0.00014 -0.00002 125 9D+1 -0.00016 0.00006 -0.00003 -0.00010 -0.00003 126 9D-1 0.00010 0.00003 -0.00019 -0.00019 0.00000 127 9D+2 -0.00027 0.00003 0.00017 0.00009 -0.00002 128 9D-2 -0.00012 0.00006 -0.00010 -0.00003 0.00000 129 7 O 1S -0.00028 -0.00015 0.00015 -0.00037 -0.00017 130 2S -0.00088 -0.00043 0.00043 -0.00092 -0.00041 131 3S 0.00261 0.00125 -0.00125 0.00197 0.00070 132 4S 0.00084 -0.00004 0.00004 0.00114 0.00095 133 5S 0.01023 0.00484 -0.00484 0.00739 0.00221 134 6PX 0.00518 0.00165 -0.00655 0.00681 0.00128 135 6PY -0.00518 -0.00655 0.00165 -0.00681 -0.00128 136 6PZ -0.00253 0.00236 -0.00236 -0.00897 -0.00024 137 7PX 0.00394 0.00102 -0.00505 0.00547 0.00107 138 7PY -0.00394 -0.00505 0.00102 -0.00547 -0.00107 139 7PZ -0.00234 0.00158 -0.00158 -0.00751 -0.00012 140 8PX 0.00377 -0.00120 -0.00453 0.00642 0.00114 141 8PY -0.00377 -0.00453 -0.00120 -0.00642 -0.00114 142 8PZ -0.00199 0.00145 -0.00145 -0.00943 -0.00084 143 9D 0 -0.00029 -0.00015 0.00015 -0.00003 0.00002 144 9D+1 -0.00010 0.00010 -0.00003 -0.00006 0.00003 145 9D-1 0.00010 -0.00003 0.00010 0.00006 -0.00003 146 9D+2 0.00000 0.00008 0.00008 0.00000 0.00000 147 9D-2 -0.00014 -0.00019 0.00019 0.00003 -0.00001 148 8 O 1S 0.00158 -0.00327 0.00327 0.00327 0.00000 149 2S 0.00462 -0.00546 0.00546 0.00546 0.00000 150 3S -0.01081 0.00192 -0.00192 -0.00192 0.00000 151 4S -0.00477 0.00688 -0.00688 -0.00688 0.00000 152 5S -0.00203 0.00243 -0.00243 -0.00243 0.00000 153 6PX 0.08452 0.03480 -0.00293 -0.00293 -0.01184 154 6PY -0.08452 -0.00293 0.03480 0.00293 0.01184 155 6PZ 0.05551 -0.00293 0.00293 0.03480 -0.02368 156 7PX 0.06635 0.02747 -0.00081 -0.00081 -0.00981 157 7PY -0.06635 -0.00081 0.02747 0.00081 0.00981 158 7PZ 0.05003 -0.00081 0.00081 0.02747 -0.01963 159 8PX 0.02995 0.00681 -0.00346 -0.00346 -0.00587 160 8PY -0.02995 -0.00346 0.00681 0.00346 0.00587 161 8PZ 0.02164 -0.00346 0.00346 0.00681 -0.01174 162 9D 0 0.00734 0.00116 -0.00116 0.00232 -0.00151 163 9D+1 0.00022 0.00141 0.00061 -0.00141 0.00043 164 9D-1 -0.00022 0.00061 0.00141 0.00141 -0.00043 165 9D+2 0.00000 -0.00201 -0.00201 0.00000 0.00000 166 9D-2 0.00657 0.00141 -0.00141 0.00061 -0.00087 167 9 O 1S 0.00018 -0.00015 -0.00037 0.00015 0.00009 168 2S 0.00047 -0.00043 -0.00092 0.00043 0.00021 169 3S -0.00109 0.00125 0.00197 -0.00125 -0.00035 170 4S 0.00051 -0.00004 0.00114 0.00004 -0.00048 171 5S -0.00026 0.00484 0.00739 -0.00484 -0.00111 172 6PX -0.00532 0.00165 0.00681 -0.00655 -0.00111 173 6PY 0.00110 0.00236 -0.00897 -0.00236 0.00012 174 6PZ 0.00161 -0.00655 -0.00681 0.00165 0.00016 175 7PX -0.00395 0.00102 0.00547 -0.00505 -0.00093 176 7PY 0.00158 0.00158 -0.00751 -0.00158 0.00006 177 7PZ 0.00092 -0.00505 -0.00547 0.00102 0.00014 178 8PX -0.00484 -0.00120 0.00642 -0.00453 -0.00111 179 8PY 0.00407 0.00145 -0.00943 -0.00145 0.00042 180 8PZ 0.00034 -0.00453 -0.00642 -0.00120 0.00003 181 9D 0 0.00009 0.00001 0.00002 -0.00014 -0.00002 182 9D+1 -0.00010 -0.00019 0.00003 0.00019 0.00000 183 9D-1 0.00016 -0.00003 0.00006 0.00010 0.00003 184 9D+2 0.00027 0.00017 0.00003 -0.00009 0.00002 185 9D-2 -0.00012 0.00010 -0.00006 -0.00003 0.00000 106 107 108 109 110 106 9D+1 0.00191 107 9D-1 -0.00064 0.00191 108 9D+2 -0.00125 -0.00125 0.00253 109 9D-2 0.00064 -0.00064 0.00000 0.00191 110 6 O 1S -0.00005 0.00017 -0.00015 -0.00005 0.40141 111 2S -0.00008 0.00038 -0.00036 -0.00008 0.61060 112 3S 0.00006 -0.00063 0.00061 0.00006 -0.05002 113 4S -0.00002 -0.00079 0.00082 -0.00002 -0.12774 114 5S 0.00024 -0.00185 0.00192 0.00024 -0.03070 115 6PX -0.00156 0.00164 0.00020 -0.00156 -0.00760 116 6PY 0.00076 0.00030 -0.00083 0.00076 -0.00760 117 6PZ 0.00076 0.00030 -0.00138 0.00076 -0.00760 118 7PX -0.00126 0.00140 0.00010 -0.00126 -0.00398 119 7PY 0.00061 0.00026 -0.00070 0.00064 -0.00398 120 7PZ 0.00064 0.00026 -0.00116 0.00061 -0.00398 121 8PX -0.00169 0.00096 0.00073 -0.00169 -0.00759 122 8PY 0.00087 0.00016 -0.00068 0.00081 -0.00759 123 8PZ 0.00081 0.00016 -0.00130 0.00087 -0.00759 124 9D 0 0.00002 0.00001 -0.00002 0.00000 0.00000 125 9D+1 0.00000 -0.00004 0.00002 -0.00001 -0.00072 126 9D-1 0.00001 -0.00001 0.00001 0.00001 -0.00072 127 9D+2 -0.00001 -0.00003 0.00001 -0.00002 0.00000 128 9D-2 -0.00001 -0.00004 0.00003 0.00000 -0.00072 129 7 O 1S -0.00005 0.00005 0.00000 -0.00017 -0.00003 130 2S -0.00008 0.00008 0.00000 -0.00038 -0.00009 131 3S 0.00006 -0.00006 0.00000 0.00063 0.00019 132 4S -0.00002 0.00002 0.00000 0.00079 0.00003 133 5S 0.00024 -0.00024 0.00000 0.00185 0.00089 134 6PX -0.00076 0.00076 0.00055 0.00030 -0.00025 135 6PY 0.00076 -0.00076 0.00055 -0.00030 -0.00096 136 6PZ 0.00156 -0.00156 0.00000 0.00164 -0.00025 137 7PX -0.00064 0.00061 0.00046 0.00026 -0.00021 138 7PY 0.00061 -0.00064 0.00046 -0.00026 -0.00078 139 7PZ 0.00126 -0.00126 0.00000 0.00140 -0.00021 140 8PX -0.00081 0.00087 0.00062 0.00016 -0.00011 141 8PY 0.00087 -0.00081 0.00062 -0.00016 -0.00078 142 8PZ 0.00169 -0.00169 0.00000 0.00096 -0.00011 143 9D 0 -0.00002 0.00002 0.00000 0.00003 0.00001 144 9D+1 0.00000 0.00001 -0.00001 0.00004 0.00001 145 9D-1 0.00001 0.00000 -0.00001 -0.00004 0.00001 146 9D+2 0.00001 0.00001 -0.00003 0.00000 0.00001 147 9D-2 -0.00001 0.00001 0.00000 -0.00001 0.00001 148 8 O 1S 0.00230 -0.00230 0.00000 0.00230 -0.00003 149 2S 0.00538 -0.00538 0.00000 0.00538 -0.00009 150 3S -0.00810 0.00810 0.00000 -0.00810 0.00019 151 4S -0.00819 0.00819 0.00000 -0.00819 0.00003 152 5S -0.00127 0.00127 0.00000 -0.00127 0.00089 153 6PX 0.00192 -0.02231 0.02051 0.00192 -0.00096 154 6PY -0.02231 0.00192 0.02051 -0.00192 -0.00025 155 6PZ -0.00192 0.00192 0.00000 -0.02231 -0.00025 156 7PX 0.00051 -0.01741 0.01700 0.00051 -0.00078 157 7PY -0.01741 0.00051 0.01700 -0.00051 -0.00021 158 7PZ -0.00051 0.00051 0.00000 -0.01741 -0.00021 159 8PX -0.00116 -0.00889 0.01017 -0.00116 -0.00078 160 8PY -0.00889 -0.00116 0.01017 0.00116 -0.00011 161 8PZ 0.00116 -0.00116 0.00000 -0.00889 -0.00011 162 9D 0 0.00044 -0.00044 0.00000 -0.00087 0.00001 163 9D+1 0.00015 -0.00090 0.00075 0.00090 0.00001 164 9D-1 -0.00090 0.00015 0.00075 -0.00090 0.00001 165 9D+2 0.00075 0.00075 -0.00151 0.00000 -0.00001 166 9D-2 0.00090 -0.00090 0.00000 0.00015 0.00001 167 9 O 1S -0.00017 0.00005 0.00015 -0.00005 -0.00003 168 2S -0.00038 0.00008 0.00036 -0.00008 -0.00009 169 3S 0.00063 -0.00006 -0.00061 0.00006 0.00019 170 4S 0.00079 0.00002 -0.00082 -0.00002 0.00003 171 5S 0.00185 -0.00024 -0.00192 0.00024 0.00089 172 6PX 0.00030 0.00076 -0.00083 -0.00076 -0.00025 173 6PY 0.00164 -0.00156 0.00020 0.00156 -0.00025 174 6PZ -0.00030 -0.00076 0.00138 0.00076 -0.00096 175 7PX 0.00026 0.00061 -0.00070 -0.00064 -0.00021 176 7PY 0.00140 -0.00126 0.00010 0.00126 -0.00021 177 7PZ -0.00026 -0.00064 0.00116 0.00061 -0.00078 178 8PX 0.00016 0.00087 -0.00068 -0.00081 -0.00011 179 8PY 0.00096 -0.00169 0.00073 0.00169 -0.00011 180 8PZ -0.00016 -0.00081 0.00130 0.00087 -0.00078 181 9D 0 -0.00001 -0.00002 0.00002 0.00000 -0.00001 182 9D+1 -0.00001 0.00001 0.00001 -0.00001 0.00001 183 9D-1 -0.00004 0.00000 0.00002 0.00001 0.00001 184 9D+2 -0.00003 -0.00001 0.00001 0.00002 0.00000 185 9D-2 0.00004 0.00001 -0.00003 0.00000 0.00001 111 112 113 114 115 111 2S 0.94585 112 3S -0.14484 0.28392 113 4S -0.28264 0.37217 0.50688 114 5S -0.08664 0.16563 0.23216 0.14335 115 6PX -0.01749 0.02286 0.06372 0.07050 0.36565 116 6PY -0.01749 0.02286 0.06372 0.07050 0.01229 117 6PZ -0.01749 0.02286 0.06372 0.07050 0.01229 118 7PX -0.01056 0.01724 0.04613 0.04966 0.28767 119 7PY -0.01056 0.01724 0.04613 0.04966 -0.00543 120 7PZ -0.01056 0.01724 0.04613 0.04966 -0.00543 121 8PX -0.01658 0.02044 0.03700 0.02539 0.14775 122 8PY -0.01658 0.02044 0.03700 0.02539 -0.01553 123 8PZ -0.01658 0.02044 0.03700 0.02539 -0.01553 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00796 125 9D+1 -0.00163 0.00236 0.00105 -0.00270 -0.01262 126 9D-1 -0.00163 0.00236 0.00105 -0.00270 0.00116 127 9D+2 0.00000 0.00000 0.00000 0.00000 -0.01379 128 9D-2 -0.00163 0.00236 0.00105 -0.00270 -0.01262 129 7 O 1S -0.00009 0.00019 0.00003 0.00089 0.00025 130 2S -0.00021 0.00040 0.00030 0.00166 0.00059 131 3S 0.00040 -0.00048 -0.00105 -0.00160 -0.00084 132 4S 0.00030 -0.00105 -0.00196 -0.00120 -0.00235 133 5S 0.00166 -0.00160 -0.00120 -0.00189 -0.00055 134 6PX -0.00059 0.00084 0.00235 0.00055 -0.00238 135 6PY -0.00231 0.00378 0.00700 0.01627 -0.00493 136 6PZ -0.00059 0.00084 0.00235 0.00055 -0.00735 137 7PX -0.00049 0.00066 0.00195 0.00099 -0.00190 138 7PY -0.00192 0.00326 0.00592 0.01300 -0.00391 139 7PZ -0.00049 0.00066 0.00195 0.00099 -0.00616 140 8PX -0.00036 0.00087 0.00132 0.00307 -0.00209 141 8PY -0.00185 0.00325 0.00413 0.01222 -0.00633 142 8PZ -0.00036 0.00087 0.00132 0.00307 -0.00654 143 9D 0 0.00001 -0.00003 0.00011 0.00004 0.00013 144 9D+1 0.00001 -0.00005 0.00010 -0.00020 -0.00001 145 9D-1 0.00001 0.00000 0.00009 0.00027 0.00006 146 9D+2 0.00002 -0.00004 0.00019 0.00006 0.00006 147 9D-2 0.00001 0.00000 0.00009 0.00027 0.00015 148 8 O 1S -0.00009 0.00019 0.00003 0.00089 -0.00096 149 2S -0.00021 0.00040 0.00030 0.00166 -0.00231 150 3S 0.00040 -0.00048 -0.00105 -0.00160 0.00378 151 4S 0.00030 -0.00105 -0.00196 -0.00120 0.00700 152 5S 0.00166 -0.00160 -0.00120 -0.00189 0.01627 153 6PX -0.00231 0.00378 0.00700 0.01627 -0.00476 154 6PY -0.00059 0.00084 0.00235 0.00055 0.00493 155 6PZ -0.00059 0.00084 0.00235 0.00055 0.00493 156 7PX -0.00192 0.00326 0.00592 0.01300 -0.00519 157 7PY -0.00049 0.00066 0.00195 0.00099 0.00473 158 7PZ -0.00049 0.00066 0.00195 0.00099 0.00473 159 8PX -0.00185 0.00325 0.00413 0.01222 -0.00092 160 8PY -0.00036 0.00087 0.00132 0.00307 0.00479 161 8PZ -0.00036 0.00087 0.00132 0.00307 0.00479 162 9D 0 0.00001 -0.00003 0.00011 0.00004 -0.00005 163 9D+1 0.00001 0.00000 0.00009 0.00027 -0.00023 164 9D-1 0.00001 -0.00005 0.00010 -0.00020 0.00015 165 9D+2 -0.00002 0.00004 -0.00019 -0.00006 0.00009 166 9D-2 0.00001 0.00000 0.00009 0.00027 -0.00023 167 9 O 1S -0.00009 0.00019 0.00003 0.00089 0.00025 168 2S -0.00021 0.00040 0.00030 0.00166 0.00059 169 3S 0.00040 -0.00048 -0.00105 -0.00160 -0.00084 170 4S 0.00030 -0.00105 -0.00196 -0.00120 -0.00235 171 5S 0.00166 -0.00160 -0.00120 -0.00189 -0.00055 172 6PX -0.00059 0.00084 0.00235 0.00055 -0.00238 173 6PY -0.00059 0.00084 0.00235 0.00055 -0.00735 174 6PZ -0.00231 0.00378 0.00700 0.01627 -0.00493 175 7PX -0.00049 0.00066 0.00195 0.00099 -0.00190 176 7PY -0.00049 0.00066 0.00195 0.00099 -0.00616 177 7PZ -0.00192 0.00326 0.00592 0.01300 -0.00391 178 8PX -0.00036 0.00087 0.00132 0.00307 -0.00209 179 8PY -0.00036 0.00087 0.00132 0.00307 -0.00654 180 8PZ -0.00185 0.00325 0.00413 0.01222 -0.00633 181 9D 0 -0.00002 0.00005 -0.00022 -0.00007 -0.00012 182 9D+1 0.00001 0.00000 0.00009 0.00027 0.00015 183 9D-1 0.00001 0.00000 0.00009 0.00027 0.00006 184 9D+2 0.00000 0.00000 0.00000 0.00000 -0.00009 185 9D-2 0.00001 -0.00005 0.00010 -0.00020 -0.00001 116 117 118 119 120 116 6PY 0.36565 117 6PZ 0.01229 0.36565 118 7PX -0.00543 -0.00543 0.22762 119 7PY 0.28767 -0.00543 -0.01550 0.22762 120 7PZ -0.00543 0.28767 -0.01550 -0.01550 0.22762 121 8PX -0.01553 -0.01553 0.11799 -0.01732 -0.01732 122 8PY 0.14775 -0.01553 -0.01732 0.11799 -0.01732 123 8PZ -0.01553 0.14775 -0.01732 -0.01732 0.11799 124 9D 0 0.00796 -0.01592 0.00661 0.00661 -0.01321 125 9D+1 0.00116 -0.01262 -0.00948 0.00196 -0.00948 126 9D-1 -0.01262 -0.01262 0.00196 -0.00948 -0.00948 127 9D+2 0.01379 0.00000 -0.01144 0.01144 0.00000 128 9D-2 -0.01262 0.00116 -0.00948 -0.00948 0.00196 129 7 O 1S -0.00096 0.00025 0.00021 -0.00078 0.00021 130 2S -0.00231 0.00059 0.00049 -0.00192 0.00049 131 3S 0.00378 -0.00084 -0.00066 0.00326 -0.00066 132 4S 0.00700 -0.00235 -0.00195 0.00592 -0.00195 133 5S 0.01627 -0.00055 -0.00099 0.01300 -0.00099 134 6PX 0.00493 -0.00735 -0.00190 0.00391 -0.00616 135 6PY -0.00476 -0.00493 -0.00473 -0.00519 -0.00473 136 6PZ 0.00493 -0.00238 -0.00616 0.00391 -0.00190 137 7PX 0.00473 -0.00616 -0.00158 0.00372 -0.00522 138 7PY -0.00519 -0.00391 -0.00372 -0.00527 -0.00372 139 7PZ 0.00473 -0.00190 -0.00522 0.00372 -0.00158 140 8PX 0.00479 -0.00654 -0.00170 0.00386 -0.00545 141 8PY -0.00092 -0.00633 -0.00531 -0.00117 -0.00531 142 8PZ 0.00479 -0.00209 -0.00545 0.00386 -0.00170 143 9D 0 -0.00005 -0.00001 0.00008 -0.00008 -0.00004 144 9D+1 0.00015 -0.00001 -0.00002 0.00009 -0.00002 145 9D-1 -0.00023 0.00015 0.00003 -0.00024 0.00009 146 9D+2 -0.00009 0.00015 0.00001 -0.00015 0.00007 147 9D-2 -0.00023 0.00006 0.00009 -0.00024 0.00003 148 8 O 1S 0.00025 0.00025 -0.00078 0.00021 0.00021 149 2S 0.00059 0.00059 -0.00192 0.00049 0.00049 150 3S -0.00084 -0.00084 0.00326 -0.00066 -0.00066 151 4S -0.00235 -0.00235 0.00592 -0.00195 -0.00195 152 5S -0.00055 -0.00055 0.01300 -0.00099 -0.00099 153 6PX -0.00493 -0.00493 -0.00519 -0.00473 -0.00473 154 6PY -0.00238 -0.00735 0.00391 -0.00190 -0.00616 155 6PZ -0.00735 -0.00238 0.00391 -0.00616 -0.00190 156 7PX -0.00391 -0.00391 -0.00527 -0.00372 -0.00372 157 7PY -0.00190 -0.00616 0.00372 -0.00158 -0.00522 158 7PZ -0.00616 -0.00190 0.00372 -0.00522 -0.00158 159 8PX -0.00633 -0.00633 -0.00117 -0.00531 -0.00531 160 8PY -0.00209 -0.00654 0.00386 -0.00170 -0.00545 161 8PZ -0.00654 -0.00209 0.00386 -0.00545 -0.00170 162 9D 0 0.00013 -0.00001 -0.00008 0.00008 -0.00004 163 9D+1 0.00006 0.00015 -0.00024 0.00003 0.00009 164 9D-1 -0.00001 -0.00001 0.00009 -0.00002 -0.00002 165 9D+2 -0.00006 -0.00015 0.00015 -0.00001 -0.00007 166 9D-2 0.00015 0.00006 -0.00024 0.00009 0.00003 167 9 O 1S 0.00025 -0.00096 0.00021 0.00021 -0.00078 168 2S 0.00059 -0.00231 0.00049 0.00049 -0.00192 169 3S -0.00084 0.00378 -0.00066 -0.00066 0.00326 170 4S -0.00235 0.00700 -0.00195 -0.00195 0.00592 171 5S -0.00055 0.01627 -0.00099 -0.00099 0.01300 172 6PX -0.00735 0.00493 -0.00190 -0.00616 0.00391 173 6PY -0.00238 0.00493 -0.00616 -0.00190 0.00391 174 6PZ -0.00493 -0.00476 -0.00473 -0.00473 -0.00519 175 7PX -0.00616 0.00473 -0.00158 -0.00522 0.00372 176 7PY -0.00190 0.00473 -0.00522 -0.00158 0.00372 177 7PZ -0.00391 -0.00519 -0.00372 -0.00372 -0.00527 178 8PX -0.00654 0.00479 -0.00170 -0.00545 0.00386 179 8PY -0.00209 0.00479 -0.00545 -0.00170 0.00386 180 8PZ -0.00633 -0.00092 -0.00531 -0.00531 -0.00117 181 9D 0 -0.00012 0.00010 -0.00004 -0.00004 0.00017 182 9D+1 0.00006 -0.00023 0.00009 0.00003 -0.00024 183 9D-1 0.00015 -0.00023 0.00003 0.00009 -0.00024 184 9D+2 0.00009 0.00000 -0.00007 0.00007 0.00000 185 9D-2 -0.00001 0.00015 -0.00002 -0.00002 0.00009 121 122 123 124 125 121 8PX 0.06733 122 8PY -0.01444 0.06733 123 8PZ -0.01444 -0.01444 0.06733 124 9D 0 0.00343 0.00343 -0.00687 0.00113 125 9D+1 -0.00413 0.00181 -0.00413 0.00033 0.00093 126 9D-1 0.00181 -0.00413 -0.00413 0.00033 0.00037 127 9D+2 -0.00595 0.00595 0.00000 0.00000 0.00057 128 9D-2 -0.00413 -0.00413 0.00181 -0.00065 0.00037 129 7 O 1S 0.00011 -0.00078 0.00011 0.00001 0.00001 130 2S 0.00036 -0.00185 0.00036 0.00001 0.00001 131 3S -0.00087 0.00325 -0.00087 -0.00003 -0.00005 132 4S -0.00132 0.00413 -0.00132 0.00011 0.00010 133 5S -0.00307 0.01222 -0.00307 0.00004 -0.00020 134 6PX -0.00209 0.00633 -0.00654 -0.00013 0.00001 135 6PY -0.00479 -0.00092 -0.00479 -0.00005 0.00015 136 6PZ -0.00654 0.00633 -0.00209 0.00001 0.00001 137 7PX -0.00170 0.00531 -0.00545 -0.00008 0.00002 138 7PY -0.00386 -0.00117 -0.00386 -0.00008 0.00009 139 7PZ -0.00545 0.00531 -0.00170 0.00004 0.00002 140 8PX -0.00139 0.00525 -0.00620 -0.00008 0.00003 141 8PY -0.00525 0.00208 -0.00525 -0.00002 0.00011 142 8PZ -0.00620 0.00525 -0.00139 0.00009 0.00003 143 9D 0 0.00008 -0.00002 -0.00009 0.00000 0.00000 144 9D+1 -0.00003 0.00011 -0.00003 0.00000 0.00000 145 9D-1 -0.00003 -0.00015 0.00007 0.00000 0.00000 146 9D+2 -0.00006 -0.00004 0.00004 -0.00001 0.00000 147 9D-2 0.00007 -0.00015 -0.00003 0.00000 0.00000 148 8 O 1S -0.00078 0.00011 0.00011 0.00001 -0.00001 149 2S -0.00185 0.00036 0.00036 0.00001 -0.00001 150 3S 0.00325 -0.00087 -0.00087 -0.00003 0.00000 151 4S 0.00413 -0.00132 -0.00132 0.00011 -0.00009 152 5S 0.01222 -0.00307 -0.00307 0.00004 -0.00027 153 6PX -0.00092 -0.00479 -0.00479 -0.00005 0.00023 154 6PY 0.00633 -0.00209 -0.00654 -0.00013 0.00006 155 6PZ 0.00633 -0.00654 -0.00209 0.00001 0.00015 156 7PX -0.00117 -0.00386 -0.00386 -0.00008 0.00024 157 7PY 0.00531 -0.00170 -0.00545 -0.00008 0.00003 158 7PZ 0.00531 -0.00545 -0.00170 0.00004 0.00009 159 8PX 0.00208 -0.00525 -0.00525 -0.00002 0.00015 160 8PY 0.00525 -0.00139 -0.00620 -0.00008 -0.00003 161 8PZ 0.00525 -0.00620 -0.00139 0.00009 0.00007 162 9D 0 -0.00002 0.00008 -0.00009 0.00000 0.00000 163 9D+1 -0.00015 -0.00003 0.00007 0.00000 0.00000 164 9D-1 0.00011 -0.00003 -0.00003 0.00000 0.00000 165 9D+2 0.00004 0.00006 -0.00004 0.00001 0.00000 166 9D-2 -0.00015 0.00007 -0.00003 0.00000 0.00000 167 9 O 1S 0.00011 0.00011 -0.00078 -0.00001 -0.00001 168 2S 0.00036 0.00036 -0.00185 -0.00002 -0.00001 169 3S -0.00087 -0.00087 0.00325 0.00005 0.00000 170 4S -0.00132 -0.00132 0.00413 -0.00022 -0.00009 171 5S -0.00307 -0.00307 0.01222 -0.00007 -0.00027 172 6PX -0.00209 -0.00654 0.00633 0.00012 0.00015 173 6PY -0.00654 -0.00209 0.00633 0.00012 0.00006 174 6PZ -0.00479 -0.00479 -0.00092 0.00010 0.00023 175 7PX -0.00170 -0.00545 0.00531 0.00004 0.00009 176 7PY -0.00545 -0.00170 0.00531 0.00004 0.00003 177 7PZ -0.00386 -0.00386 -0.00117 0.00017 0.00024 178 8PX -0.00139 -0.00620 0.00525 -0.00001 0.00007 179 8PY -0.00620 -0.00139 0.00525 -0.00001 -0.00003 180 8PZ -0.00525 -0.00525 0.00208 0.00004 0.00015 181 9D 0 0.00001 0.00001 0.00004 -0.00001 -0.00001 182 9D+1 0.00007 -0.00003 -0.00015 0.00001 0.00000 183 9D-1 -0.00003 0.00007 -0.00015 0.00001 0.00000 184 9D+2 -0.00010 0.00010 0.00000 0.00000 0.00000 185 9D-2 -0.00003 -0.00003 0.00011 0.00000 0.00000 126 127 128 129 130 126 9D-1 0.00093 127 9D+2 -0.00057 0.00113 128 9D-2 0.00037 0.00000 0.00093 129 7 O 1S -0.00001 0.00001 -0.00001 0.40141 130 2S -0.00001 0.00002 -0.00001 0.61060 0.94585 131 3S 0.00000 -0.00004 0.00000 -0.05002 -0.14484 132 4S -0.00009 0.00019 -0.00009 -0.12774 -0.28264 133 5S -0.00027 0.00006 -0.00027 -0.03070 -0.08664 134 6PX 0.00006 -0.00006 0.00015 0.00760 0.01749 135 6PY 0.00023 -0.00009 0.00023 -0.00760 -0.01749 136 6PZ 0.00015 -0.00015 0.00006 0.00760 0.01749 137 7PX 0.00003 -0.00001 0.00009 0.00398 0.01056 138 7PY 0.00024 -0.00015 0.00024 -0.00398 -0.01056 139 7PZ 0.00009 -0.00007 0.00003 0.00398 0.01056 140 8PX -0.00003 0.00006 0.00007 0.00759 0.01658 141 8PY 0.00015 -0.00004 0.00015 -0.00759 -0.01658 142 8PZ 0.00007 -0.00004 -0.00003 0.00759 0.01658 143 9D 0 0.00000 -0.00001 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 -0.00072 -0.00163 145 9D-1 0.00000 0.00000 0.00000 0.00072 0.00163 146 9D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 147 9D-2 0.00000 -0.00001 0.00000 0.00072 0.00163 148 8 O 1S 0.00001 -0.00001 -0.00001 -0.00003 -0.00009 149 2S 0.00001 -0.00002 -0.00001 -0.00009 -0.00021 150 3S -0.00005 0.00004 0.00000 0.00019 0.00040 151 4S 0.00010 -0.00019 -0.00009 0.00003 0.00030 152 5S -0.00020 -0.00006 -0.00027 0.00089 0.00166 153 6PX 0.00015 0.00009 0.00023 0.00025 0.00059 154 6PY 0.00001 0.00006 0.00015 -0.00025 -0.00059 155 6PZ 0.00001 0.00015 0.00006 0.00096 0.00231 156 7PX 0.00009 0.00015 0.00024 0.00021 0.00049 157 7PY 0.00002 0.00001 0.00009 -0.00021 -0.00049 158 7PZ 0.00002 0.00007 0.00003 0.00078 0.00192 159 8PX 0.00011 0.00004 0.00015 0.00011 0.00036 160 8PY 0.00003 -0.00006 0.00007 -0.00011 -0.00036 161 8PZ 0.00003 0.00004 -0.00003 0.00078 0.00185 162 9D 0 0.00000 0.00001 0.00000 -0.00001 -0.00002 163 9D+1 0.00000 0.00000 0.00000 0.00001 0.00001 164 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001 165 9D+2 0.00000 -0.00001 -0.00001 0.00000 0.00000 166 9D-2 0.00000 0.00001 0.00000 -0.00001 -0.00001 167 9 O 1S -0.00001 0.00000 0.00001 -0.00003 -0.00009 168 2S -0.00001 0.00000 0.00001 -0.00009 -0.00021 169 3S 0.00000 0.00000 -0.00005 0.00019 0.00040 170 4S -0.00009 0.00000 0.00010 0.00003 0.00030 171 5S -0.00027 0.00000 -0.00020 0.00089 0.00166 172 6PX 0.00006 0.00009 0.00001 0.00096 0.00231 173 6PY 0.00015 -0.00009 0.00001 -0.00025 -0.00059 174 6PZ 0.00023 0.00000 0.00015 0.00025 0.00059 175 7PX 0.00003 0.00007 0.00002 0.00078 0.00192 176 7PY 0.00009 -0.00007 0.00002 -0.00021 -0.00049 177 7PZ 0.00024 0.00000 0.00009 0.00021 0.00049 178 8PX -0.00003 0.00010 0.00003 0.00078 0.00185 179 8PY 0.00007 -0.00010 0.00003 -0.00011 -0.00036 180 8PZ 0.00015 0.00000 0.00011 0.00011 0.00036 181 9D 0 -0.00001 0.00000 0.00000 0.00001 0.00001 182 9D+1 0.00000 0.00000 0.00000 0.00001 0.00001 183 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001 184 9D+2 0.00000 0.00000 0.00000 -0.00001 -0.00002 185 9D-2 0.00000 0.00000 0.00000 -0.00001 -0.00001 131 132 133 134 135 131 3S 0.28392 132 4S 0.37217 0.50688 133 5S 0.16563 0.23216 0.14335 134 6PX -0.02286 -0.06372 -0.07050 0.36565 135 6PY 0.02286 0.06372 0.07050 -0.01229 0.36565 136 6PZ -0.02286 -0.06372 -0.07050 0.01229 -0.01229 137 7PX -0.01724 -0.04613 -0.04966 0.28767 0.00543 138 7PY 0.01724 0.04613 0.04966 0.00543 0.28767 139 7PZ -0.01724 -0.04613 -0.04966 -0.00543 0.00543 140 8PX -0.02044 -0.03700 -0.02539 0.14775 0.01553 141 8PY 0.02044 0.03700 0.02539 0.01553 0.14775 142 8PZ -0.02044 -0.03700 -0.02539 -0.01553 0.01553 143 9D 0 0.00000 0.00000 0.00000 -0.00796 0.00796 144 9D+1 0.00236 0.00105 -0.00270 0.01262 0.00116 145 9D-1 -0.00236 -0.00105 0.00270 0.00116 0.01262 146 9D+2 0.00000 0.00000 0.00000 0.01379 0.01379 147 9D-2 -0.00236 -0.00105 0.00270 -0.01262 0.01262 148 8 O 1S 0.00019 0.00003 0.00089 -0.00025 0.00025 149 2S 0.00040 0.00030 0.00166 -0.00059 0.00059 150 3S -0.00048 -0.00105 -0.00160 0.00084 -0.00084 151 4S -0.00105 -0.00196 -0.00120 0.00235 -0.00235 152 5S -0.00160 -0.00120 -0.00189 0.00055 -0.00055 153 6PX -0.00084 -0.00235 -0.00055 -0.00238 0.00735 154 6PY 0.00084 0.00235 0.00055 0.00735 -0.00238 155 6PZ -0.00378 -0.00700 -0.01627 -0.00493 0.00493 156 7PX -0.00066 -0.00195 -0.00099 -0.00190 0.00616 157 7PY 0.00066 0.00195 0.00099 0.00616 -0.00190 158 7PZ -0.00326 -0.00592 -0.01300 -0.00391 0.00391 159 8PX -0.00087 -0.00132 -0.00307 -0.00209 0.00654 160 8PY 0.00087 0.00132 0.00307 0.00654 -0.00209 161 8PZ -0.00325 -0.00413 -0.01222 -0.00633 0.00633 162 9D 0 0.00005 -0.00022 -0.00007 0.00012 -0.00012 163 9D+1 0.00000 0.00009 0.00027 -0.00015 0.00006 164 9D-1 0.00000 -0.00009 -0.00027 0.00006 -0.00015 165 9D+2 0.00000 0.00000 0.00000 0.00009 0.00009 166 9D-2 0.00005 -0.00010 0.00020 -0.00001 0.00001 167 9 O 1S 0.00019 0.00003 0.00089 0.00096 0.00025 168 2S 0.00040 0.00030 0.00166 0.00231 0.00059 169 3S -0.00048 -0.00105 -0.00160 -0.00378 -0.00084 170 4S -0.00105 -0.00196 -0.00120 -0.00700 -0.00235 171 5S -0.00160 -0.00120 -0.00189 -0.01627 -0.00055 172 6PX -0.00378 -0.00700 -0.01627 -0.00476 0.00493 173 6PY 0.00084 0.00235 0.00055 -0.00493 -0.00238 174 6PZ -0.00084 -0.00235 -0.00055 0.00493 0.00735 175 7PX -0.00326 -0.00592 -0.01300 -0.00519 0.00391 176 7PY 0.00066 0.00195 0.00099 -0.00473 -0.00190 177 7PZ -0.00066 -0.00195 -0.00099 0.00473 0.00616 178 8PX -0.00325 -0.00413 -0.01222 -0.00092 0.00633 179 8PY 0.00087 0.00132 0.00307 -0.00479 -0.00209 180 8PZ -0.00087 -0.00132 -0.00307 0.00479 0.00654 181 9D 0 -0.00003 0.00011 0.00004 0.00005 0.00013 182 9D+1 0.00000 0.00009 0.00027 0.00023 0.00006 183 9D-1 0.00005 -0.00010 0.00020 0.00015 0.00001 184 9D+2 0.00004 -0.00019 -0.00006 -0.00009 -0.00006 185 9D-2 0.00000 -0.00009 -0.00027 -0.00023 -0.00015 136 137 138 139 140 136 6PZ 0.36565 137 7PX -0.00543 0.22762 138 7PY 0.00543 0.01550 0.22762 139 7PZ 0.28767 -0.01550 0.01550 0.22762 140 8PX -0.01553 0.11799 0.01732 -0.01732 0.06733 141 8PY 0.01553 0.01732 0.11799 0.01732 0.01444 142 8PZ 0.14775 -0.01732 0.01732 0.11799 -0.01444 143 9D 0 0.01592 -0.00661 0.00661 0.01321 -0.00343 144 9D+1 0.01262 0.00948 0.00196 0.00948 0.00413 145 9D-1 -0.01262 0.00196 0.00948 -0.00948 0.00181 146 9D+2 0.00000 0.01144 0.01144 0.00000 0.00595 147 9D-2 0.00116 -0.00948 0.00948 0.00196 -0.00413 148 8 O 1S 0.00096 -0.00021 0.00021 0.00078 -0.00011 149 2S 0.00231 -0.00049 0.00049 0.00192 -0.00036 150 3S -0.00378 0.00066 -0.00066 -0.00326 0.00087 151 4S -0.00700 0.00195 -0.00195 -0.00592 0.00132 152 5S -0.01627 0.00099 -0.00099 -0.01300 0.00307 153 6PX 0.00493 -0.00190 0.00616 0.00391 -0.00209 154 6PY -0.00493 0.00616 -0.00190 -0.00391 0.00654 155 6PZ -0.00476 -0.00473 0.00473 -0.00519 -0.00479 156 7PX 0.00473 -0.00158 0.00522 0.00372 -0.00170 157 7PY -0.00473 0.00522 -0.00158 -0.00372 0.00545 158 7PZ -0.00519 -0.00372 0.00372 -0.00527 -0.00386 159 8PX 0.00479 -0.00170 0.00545 0.00386 -0.00139 160 8PY -0.00479 0.00545 -0.00170 -0.00386 0.00620 161 8PZ -0.00092 -0.00531 0.00531 -0.00117 -0.00525 162 9D 0 -0.00010 0.00004 -0.00004 -0.00017 -0.00001 163 9D+1 0.00023 -0.00009 0.00003 0.00024 -0.00007 164 9D-1 -0.00023 0.00003 -0.00009 -0.00024 -0.00003 165 9D+2 0.00000 0.00007 0.00007 0.00000 0.00010 166 9D-2 0.00015 -0.00002 0.00002 0.00009 -0.00003 167 9 O 1S -0.00025 0.00078 0.00021 -0.00021 0.00078 168 2S -0.00059 0.00192 0.00049 -0.00049 0.00185 169 3S 0.00084 -0.00326 -0.00066 0.00066 -0.00325 170 4S 0.00235 -0.00592 -0.00195 0.00195 -0.00413 171 5S 0.00055 -0.01300 -0.00099 0.00099 -0.01222 172 6PX -0.00493 -0.00519 0.00473 -0.00473 -0.00092 173 6PY 0.00735 -0.00391 -0.00190 0.00616 -0.00633 174 6PZ -0.00238 0.00391 0.00616 -0.00190 0.00633 175 7PX -0.00391 -0.00527 0.00372 -0.00372 -0.00117 176 7PY 0.00616 -0.00372 -0.00158 0.00522 -0.00531 177 7PZ -0.00190 0.00372 0.00522 -0.00158 0.00531 178 8PX -0.00633 -0.00117 0.00531 -0.00531 0.00208 179 8PY 0.00654 -0.00386 -0.00170 0.00545 -0.00525 180 8PZ -0.00209 0.00386 0.00545 -0.00170 0.00525 181 9D 0 0.00001 0.00008 0.00008 0.00004 0.00002 182 9D+1 -0.00015 0.00024 0.00003 -0.00009 0.00015 183 9D-1 -0.00001 0.00009 0.00002 -0.00002 0.00011 184 9D+2 0.00015 -0.00015 -0.00001 0.00007 -0.00004 185 9D-2 0.00006 -0.00024 -0.00009 0.00003 -0.00015 141 142 143 144 145 141 8PY 0.06733 142 8PZ 0.01444 0.06733 143 9D 0 0.00343 0.00687 0.00113 144 9D+1 0.00181 0.00413 0.00033 0.00093 145 9D-1 0.00413 -0.00413 -0.00033 -0.00037 0.00093 146 9D+2 0.00595 0.00000 0.00000 0.00057 0.00057 147 9D-2 0.00413 0.00181 0.00065 -0.00037 0.00037 148 8 O 1S 0.00011 0.00078 -0.00001 -0.00001 0.00001 149 2S 0.00036 0.00185 -0.00002 -0.00001 0.00001 150 3S -0.00087 -0.00325 0.00005 0.00000 0.00000 151 4S -0.00132 -0.00413 -0.00022 -0.00009 0.00009 152 5S -0.00307 -0.01222 -0.00007 -0.00027 0.00027 153 6PX 0.00654 0.00633 -0.00012 -0.00015 0.00006 154 6PY -0.00209 -0.00633 0.00012 0.00006 -0.00015 155 6PZ 0.00479 -0.00092 -0.00010 -0.00023 0.00023 156 7PX 0.00545 0.00531 -0.00004 -0.00009 0.00003 157 7PY -0.00170 -0.00531 0.00004 0.00003 -0.00009 158 7PZ 0.00386 -0.00117 -0.00017 -0.00024 0.00024 159 8PX 0.00620 0.00525 0.00001 -0.00007 -0.00003 160 8PY -0.00139 -0.00525 -0.00001 -0.00003 -0.00007 161 8PZ 0.00525 0.00208 -0.00004 -0.00015 0.00015 162 9D 0 0.00001 -0.00004 -0.00001 -0.00001 0.00001 163 9D+1 -0.00003 0.00015 0.00001 0.00000 0.00000 164 9D-1 -0.00007 -0.00015 -0.00001 0.00000 0.00000 165 9D+2 0.00010 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00003 0.00011 0.00000 0.00000 0.00000 167 9 O 1S 0.00011 -0.00011 0.00001 -0.00001 -0.00001 168 2S 0.00036 -0.00036 0.00001 -0.00001 -0.00001 169 3S -0.00087 0.00087 -0.00003 0.00000 0.00005 170 4S -0.00132 0.00132 0.00011 -0.00009 -0.00010 171 5S -0.00307 0.00307 0.00004 -0.00027 0.00020 172 6PX 0.00479 -0.00479 0.00005 -0.00023 0.00015 173 6PY -0.00209 0.00654 -0.00013 0.00006 -0.00001 174 6PZ 0.00654 -0.00209 -0.00001 -0.00015 0.00001 175 7PX 0.00386 -0.00386 0.00008 -0.00024 0.00009 176 7PY -0.00170 0.00545 -0.00008 0.00003 -0.00002 177 7PZ 0.00545 -0.00170 -0.00004 -0.00009 0.00002 178 8PX 0.00525 -0.00525 0.00002 -0.00015 0.00011 179 8PY -0.00139 0.00620 -0.00008 -0.00003 -0.00003 180 8PZ 0.00620 -0.00139 -0.00009 -0.00007 0.00003 181 9D 0 0.00008 0.00009 0.00000 0.00000 0.00000 182 9D+1 -0.00003 -0.00007 0.00000 0.00000 0.00000 183 9D-1 0.00003 -0.00003 0.00000 0.00000 0.00000 184 9D+2 0.00006 0.00004 0.00001 0.00000 0.00000 185 9D-2 -0.00007 -0.00003 0.00000 0.00000 0.00000 146 147 148 149 150 146 9D+2 0.00113 147 9D-2 0.00000 0.00093 148 8 O 1S 0.00000 -0.00001 0.40141 149 2S 0.00000 -0.00001 0.61060 0.94585 150 3S 0.00000 0.00005 -0.05002 -0.14484 0.28392 151 4S 0.00000 -0.00010 -0.12774 -0.28264 0.37217 152 5S 0.00000 0.00020 -0.03070 -0.08664 0.16563 153 6PX -0.00009 0.00001 -0.00760 -0.01749 0.02286 154 6PY -0.00009 -0.00001 0.00760 0.01749 -0.02286 155 6PZ 0.00000 0.00015 0.00760 0.01749 -0.02286 156 7PX -0.00007 0.00002 -0.00398 -0.01056 0.01724 157 7PY -0.00007 -0.00002 0.00398 0.01056 -0.01724 158 7PZ 0.00000 0.00009 0.00398 0.01056 -0.01724 159 8PX -0.00010 0.00003 -0.00759 -0.01658 0.02044 160 8PY -0.00010 -0.00003 0.00759 0.01658 -0.02044 161 8PZ 0.00000 0.00011 0.00759 0.01658 -0.02044 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00072 0.00163 -0.00236 164 9D-1 0.00000 0.00000 -0.00072 -0.00163 0.00236 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00072 0.00163 -0.00236 167 9 O 1S -0.00001 0.00001 -0.00003 -0.00009 0.00019 168 2S -0.00002 0.00001 -0.00009 -0.00021 0.00040 169 3S 0.00004 0.00000 0.00019 0.00040 -0.00048 170 4S -0.00019 0.00009 0.00003 0.00030 -0.00105 171 5S -0.00006 0.00027 0.00089 0.00166 -0.00160 172 6PX -0.00009 0.00023 -0.00025 -0.00059 0.00084 173 6PY 0.00006 -0.00015 0.00096 0.00231 -0.00378 174 6PZ -0.00015 0.00006 0.00025 0.00059 -0.00084 175 7PX -0.00015 0.00024 -0.00021 -0.00049 0.00066 176 7PY 0.00001 -0.00009 0.00078 0.00192 -0.00326 177 7PZ -0.00007 0.00003 0.00021 0.00049 -0.00066 178 8PX -0.00004 0.00015 -0.00011 -0.00036 0.00087 179 8PY -0.00006 -0.00007 0.00078 0.00185 -0.00325 180 8PZ -0.00004 -0.00003 0.00011 0.00036 -0.00087 181 9D 0 0.00001 0.00000 0.00001 0.00001 -0.00003 182 9D+1 0.00000 0.00000 -0.00001 -0.00001 0.00005 183 9D-1 0.00000 0.00000 0.00001 0.00001 0.00000 184 9D+2 -0.00001 0.00001 0.00001 0.00002 -0.00004 185 9D-2 -0.00001 0.00000 -0.00001 -0.00001 0.00000 151 152 153 154 155 151 4S 0.50688 152 5S 0.23216 0.14335 153 6PX 0.06372 0.07050 0.36565 154 6PY -0.06372 -0.07050 -0.01229 0.36565 155 6PZ -0.06372 -0.07050 -0.01229 0.01229 0.36565 156 7PX 0.04613 0.04966 0.28767 0.00543 0.00543 157 7PY -0.04613 -0.04966 0.00543 0.28767 -0.00543 158 7PZ -0.04613 -0.04966 0.00543 -0.00543 0.28767 159 8PX 0.03700 0.02539 0.14775 0.01553 0.01553 160 8PY -0.03700 -0.02539 0.01553 0.14775 -0.01553 161 8PZ -0.03700 -0.02539 0.01553 -0.01553 0.14775 162 9D 0 0.00000 0.00000 0.00796 -0.00796 0.01592 163 9D+1 -0.00105 0.00270 0.01262 0.00116 -0.01262 164 9D-1 0.00105 -0.00270 0.00116 0.01262 0.01262 165 9D+2 0.00000 0.00000 -0.01379 -0.01379 0.00000 166 9D-2 -0.00105 0.00270 0.01262 -0.01262 0.00116 167 9 O 1S 0.00003 0.00089 0.00025 0.00096 -0.00025 168 2S 0.00030 0.00166 0.00059 0.00231 -0.00059 169 3S -0.00105 -0.00160 -0.00084 -0.00378 0.00084 170 4S -0.00196 -0.00120 -0.00235 -0.00700 0.00235 171 5S -0.00120 -0.00189 -0.00055 -0.01627 0.00055 172 6PX 0.00235 0.00055 -0.00238 -0.00493 0.00735 173 6PY -0.00700 -0.01627 0.00493 -0.00476 -0.00493 174 6PZ -0.00235 -0.00055 0.00735 0.00493 -0.00238 175 7PX 0.00195 0.00099 -0.00190 -0.00473 0.00616 176 7PY -0.00592 -0.01300 0.00391 -0.00519 -0.00391 177 7PZ -0.00195 -0.00099 0.00616 0.00473 -0.00190 178 8PX 0.00132 0.00307 -0.00209 -0.00479 0.00654 179 8PY -0.00413 -0.01222 0.00633 -0.00092 -0.00633 180 8PZ -0.00132 -0.00307 0.00654 0.00479 -0.00209 181 9D 0 0.00011 0.00004 0.00013 0.00005 0.00001 182 9D+1 -0.00010 0.00020 0.00001 0.00015 -0.00001 183 9D-1 0.00009 0.00027 0.00006 0.00023 -0.00015 184 9D+2 0.00019 0.00006 0.00006 0.00009 -0.00015 185 9D-2 -0.00009 -0.00027 -0.00015 -0.00023 0.00006 156 157 158 159 160 156 7PX 0.22762 157 7PY 0.01550 0.22762 158 7PZ 0.01550 -0.01550 0.22762 159 8PX 0.11799 0.01732 0.01732 0.06733 160 8PY 0.01732 0.11799 -0.01732 0.01444 0.06733 161 8PZ 0.01732 -0.01732 0.11799 0.01444 -0.01444 162 9D 0 0.00661 -0.00661 0.01321 0.00343 -0.00343 163 9D+1 0.00948 0.00196 -0.00948 0.00413 0.00181 164 9D-1 0.00196 0.00948 0.00948 0.00181 0.00413 165 9D+2 -0.01144 -0.01144 0.00000 -0.00595 -0.00595 166 9D-2 0.00948 -0.00948 0.00196 0.00413 -0.00413 167 9 O 1S 0.00021 0.00078 -0.00021 0.00011 0.00078 168 2S 0.00049 0.00192 -0.00049 0.00036 0.00185 169 3S -0.00066 -0.00326 0.00066 -0.00087 -0.00325 170 4S -0.00195 -0.00592 0.00195 -0.00132 -0.00413 171 5S -0.00099 -0.01300 0.00099 -0.00307 -0.01222 172 6PX -0.00190 -0.00391 0.00616 -0.00209 -0.00633 173 6PY 0.00473 -0.00519 -0.00473 0.00479 -0.00092 174 6PZ 0.00616 0.00391 -0.00190 0.00654 0.00633 175 7PX -0.00158 -0.00372 0.00522 -0.00170 -0.00531 176 7PY 0.00372 -0.00527 -0.00372 0.00386 -0.00117 177 7PZ 0.00522 0.00372 -0.00158 0.00545 0.00531 178 8PX -0.00170 -0.00386 0.00545 -0.00139 -0.00525 179 8PY 0.00531 -0.00117 -0.00531 0.00525 0.00208 180 8PZ 0.00545 0.00386 -0.00170 0.00620 0.00525 181 9D 0 0.00008 0.00008 0.00004 0.00008 0.00002 182 9D+1 0.00002 0.00009 -0.00002 0.00003 0.00011 183 9D-1 0.00003 0.00024 -0.00009 -0.00003 0.00015 184 9D+2 0.00001 0.00015 -0.00007 -0.00006 0.00004 185 9D-2 -0.00009 -0.00024 0.00003 -0.00007 -0.00015 161 162 163 164 165 161 8PZ 0.06733 162 9D 0 0.00687 0.00113 163 9D+1 -0.00413 -0.00033 0.00093 164 9D-1 0.00413 0.00033 -0.00037 0.00093 165 9D+2 0.00000 0.00000 -0.00057 -0.00057 0.00113 166 9D-2 0.00181 0.00065 0.00037 -0.00037 0.00000 167 9 O 1S -0.00011 0.00001 -0.00001 -0.00001 0.00001 168 2S -0.00036 0.00001 -0.00001 -0.00001 0.00002 169 3S 0.00087 -0.00003 0.00005 0.00000 -0.00004 170 4S 0.00132 0.00011 -0.00010 -0.00009 0.00019 171 5S 0.00307 0.00004 0.00020 -0.00027 0.00006 172 6PX 0.00654 -0.00013 -0.00001 0.00006 -0.00006 173 6PY -0.00479 0.00005 0.00015 -0.00023 0.00009 174 6PZ -0.00209 -0.00001 0.00001 -0.00015 0.00015 175 7PX 0.00545 -0.00008 -0.00002 0.00003 -0.00001 176 7PY -0.00386 0.00008 0.00009 -0.00024 0.00015 177 7PZ -0.00170 -0.00004 0.00002 -0.00009 0.00007 178 8PX 0.00620 -0.00008 -0.00003 -0.00003 0.00006 179 8PY -0.00525 0.00002 0.00011 -0.00015 0.00004 180 8PZ -0.00139 -0.00009 0.00003 -0.00007 0.00004 181 9D 0 0.00009 0.00000 0.00000 0.00000 -0.00001 182 9D+1 -0.00003 0.00000 0.00000 0.00000 0.00000 183 9D-1 -0.00007 0.00000 0.00000 0.00000 0.00000 184 9D+2 -0.00004 -0.00001 0.00000 0.00000 -0.00001 185 9D-2 -0.00003 0.00000 0.00000 0.00000 0.00001 166 167 168 169 170 166 9D-2 0.00093 167 9 O 1S 0.00001 0.40141 168 2S 0.00001 0.61060 0.94585 169 3S 0.00000 -0.05002 -0.14484 0.28392 170 4S 0.00009 -0.12774 -0.28264 0.37217 0.50688 171 5S 0.00027 -0.03070 -0.08664 0.16563 0.23216 172 6PX -0.00015 0.00760 0.01749 -0.02286 -0.06372 173 6PY 0.00023 0.00760 0.01749 -0.02286 -0.06372 174 6PZ 0.00006 -0.00760 -0.01749 0.02286 0.06372 175 7PX -0.00009 0.00398 0.01056 -0.01724 -0.04613 176 7PY 0.00024 0.00398 0.01056 -0.01724 -0.04613 177 7PZ 0.00003 -0.00398 -0.01056 0.01724 0.04613 178 8PX -0.00007 0.00759 0.01658 -0.02044 -0.03700 179 8PY 0.00015 0.00759 0.01658 -0.02044 -0.03700 180 8PZ -0.00003 -0.00759 -0.01658 0.02044 0.03700 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00072 0.00163 -0.00236 -0.00105 183 9D-1 0.00000 0.00072 0.00163 -0.00236 -0.00105 184 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 -0.00072 -0.00163 0.00236 0.00105 171 172 173 174 175 171 5S 0.14335 172 6PX -0.07050 0.36565 173 6PY -0.07050 0.01229 0.36565 174 6PZ 0.07050 -0.01229 -0.01229 0.36565 175 7PX -0.04966 0.28767 -0.00543 0.00543 0.22762 176 7PY -0.04966 -0.00543 0.28767 0.00543 -0.01550 177 7PZ 0.04966 0.00543 0.00543 0.28767 0.01550 178 8PX -0.02539 0.14775 -0.01553 0.01553 0.11799 179 8PY -0.02539 -0.01553 0.14775 0.01553 -0.01732 180 8PZ 0.02539 0.01553 0.01553 0.14775 0.01732 181 9D 0 0.00000 -0.00796 -0.00796 -0.01592 -0.00661 182 9D+1 0.00270 -0.01262 0.00116 0.01262 -0.00948 183 9D-1 0.00270 0.00116 -0.01262 0.01262 0.00196 184 9D+2 0.00000 0.01379 -0.01379 0.00000 0.01144 185 9D-2 -0.00270 0.01262 0.01262 0.00116 0.00948 176 177 178 179 180 176 7PY 0.22762 177 7PZ 0.01550 0.22762 178 8PX -0.01732 0.01732 0.06733 179 8PY 0.11799 0.01732 -0.01444 0.06733 180 8PZ 0.01732 0.11799 0.01444 0.01444 0.06733 181 9D 0 -0.00661 -0.01321 -0.00343 -0.00343 -0.00687 182 9D+1 0.00196 0.00948 -0.00413 0.00181 0.00413 183 9D-1 -0.00948 0.00948 0.00181 -0.00413 0.00413 184 9D+2 -0.01144 0.00000 0.00595 -0.00595 0.00000 185 9D-2 0.00948 0.00196 0.00413 0.00413 0.00181 181 182 183 184 185 181 9D 0 0.00113 182 9D+1 -0.00033 0.00093 183 9D-1 -0.00033 0.00037 0.00093 184 9D+2 0.00000 -0.00057 0.00057 0.00113 185 9D-2 -0.00065 -0.00037 -0.00037 0.00000 0.00093 Full Mulliken population analysis: 1 2 3 4 5 1 1 Ni 1S 2.22187 2 2S -0.22882 2.59410 3 3S -0.00134 -0.18410 0.85777 4 4S 0.00829 -0.18623 0.56761 0.48366 5 5S -0.00026 0.00337 -0.01541 -0.03096 0.22853 6 6S -0.00002 0.00027 -0.00159 -0.00357 0.04276 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00023 35 2S 0.00000 0.00000 0.00000 0.00000 -0.00173 36 3S 0.00000 0.00001 -0.00013 -0.00044 0.01172 37 4S -0.00001 0.00024 -0.00232 -0.00415 0.03880 38 5S 0.00000 0.00019 -0.00194 -0.00269 0.00708 39 6PX 0.00000 0.00000 -0.00004 -0.00021 0.00352 40 6PY 0.00000 0.00000 -0.00004 -0.00021 0.00352 41 6PZ 0.00000 0.00000 -0.00004 -0.00021 0.00352 42 7PX 0.00000 0.00008 -0.00090 -0.00160 0.00752 43 7PY 0.00000 0.00008 -0.00090 -0.00160 0.00752 44 7PZ 0.00000 0.00008 -0.00090 -0.00160 0.00752 45 8PX 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 46 8PY 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 47 8PZ 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00001 0.00003 -0.00006 50 9D-1 0.00000 0.00000 0.00001 0.00003 -0.00006 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00001 0.00003 -0.00006 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00023 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00173 55 3S 0.00000 0.00001 -0.00013 -0.00044 0.01172 56 4S -0.00001 0.00024 -0.00232 -0.00415 0.03880 57 5S 0.00000 0.00019 -0.00194 -0.00269 0.00708 58 6PX 0.00000 0.00000 -0.00004 -0.00021 0.00352 59 6PY 0.00000 0.00000 -0.00004 -0.00021 0.00352 60 6PZ 0.00000 0.00000 -0.00004 -0.00021 0.00352 61 7PX 0.00000 0.00008 -0.00090 -0.00160 0.00752 62 7PY 0.00000 0.00008 -0.00090 -0.00160 0.00752 63 7PZ 0.00000 0.00008 -0.00090 -0.00160 0.00752 64 8PX 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 65 8PY 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 66 8PZ 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00001 0.00003 -0.00006 69 9D-1 0.00000 0.00000 0.00001 0.00003 -0.00006 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00001 0.00003 -0.00006 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00023 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00173 74 3S 0.00000 0.00001 -0.00013 -0.00044 0.01172 75 4S -0.00001 0.00024 -0.00232 -0.00415 0.03880 76 5S 0.00000 0.00019 -0.00194 -0.00269 0.00708 77 6PX 0.00000 0.00000 -0.00004 -0.00021 0.00352 78 6PY 0.00000 0.00000 -0.00004 -0.00021 0.00352 79 6PZ 0.00000 0.00000 -0.00004 -0.00021 0.00352 80 7PX 0.00000 0.00008 -0.00090 -0.00160 0.00752 81 7PY 0.00000 0.00008 -0.00090 -0.00160 0.00752 82 7PZ 0.00000 0.00008 -0.00090 -0.00160 0.00752 83 8PX 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 84 8PY 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 85 8PZ 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00001 0.00003 -0.00006 88 9D-1 0.00000 0.00000 0.00001 0.00003 -0.00006 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00001 0.00003 -0.00006 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00023 92 2S 0.00000 0.00000 0.00000 0.00000 -0.00173 93 3S 0.00000 0.00001 -0.00013 -0.00044 0.01172 94 4S -0.00001 0.00024 -0.00232 -0.00415 0.03880 95 5S 0.00000 0.00019 -0.00194 -0.00269 0.00708 96 6PX 0.00000 0.00000 -0.00004 -0.00021 0.00352 97 6PY 0.00000 0.00000 -0.00004 -0.00021 0.00352 98 6PZ 0.00000 0.00000 -0.00004 -0.00021 0.00352 99 7PX 0.00000 0.00008 -0.00090 -0.00160 0.00752 100 7PY 0.00000 0.00008 -0.00090 -0.00160 0.00752 101 7PZ 0.00000 0.00008 -0.00090 -0.00160 0.00752 102 8PX 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 103 8PY 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 104 8PZ 0.00000 -0.00001 -0.00033 -0.00029 -0.00188 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00001 0.00003 -0.00006 107 9D-1 0.00000 0.00000 0.00001 0.00003 -0.00006 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00001 0.00003 -0.00006 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00001 112 3S 0.00000 0.00000 0.00000 0.00000 -0.00014 113 4S 0.00000 0.00000 0.00000 0.00000 -0.00026 114 5S 0.00000 0.00000 0.00001 0.00001 -0.00043 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00013 116 6PY 0.00000 0.00000 0.00000 0.00000 -0.00013 117 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 118 7PX 0.00000 0.00000 0.00000 0.00000 -0.00055 119 7PY 0.00000 0.00000 0.00000 0.00000 -0.00055 120 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00055 121 8PX 0.00000 0.00000 0.00003 0.00007 -0.00111 122 8PY 0.00000 0.00000 0.00003 0.00007 -0.00111 123 8PZ 0.00000 0.00000 0.00003 0.00007 -0.00111 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 126 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00001 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00014 132 4S 0.00000 0.00000 0.00000 0.00000 -0.00026 133 5S 0.00000 0.00000 0.00001 0.00001 -0.00043 134 6PX 0.00000 0.00000 0.00000 0.00000 -0.00013 135 6PY 0.00000 0.00000 0.00000 0.00000 -0.00013 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00055 138 7PY 0.00000 0.00000 0.00000 0.00000 -0.00055 139 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00055 140 8PX 0.00000 0.00000 0.00003 0.00007 -0.00111 141 8PY 0.00000 0.00000 0.00003 0.00007 -0.00111 142 8PZ 0.00000 0.00000 0.00003 0.00007 -0.00111 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 145 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00001 150 3S 0.00000 0.00000 0.00000 0.00000 -0.00014 151 4S 0.00000 0.00000 0.00000 0.00000 -0.00026 152 5S 0.00000 0.00000 0.00001 0.00001 -0.00043 153 6PX 0.00000 0.00000 0.00000 0.00000 -0.00013 154 6PY 0.00000 0.00000 0.00000 0.00000 -0.00013 155 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 156 7PX 0.00000 0.00000 0.00000 0.00000 -0.00055 157 7PY 0.00000 0.00000 0.00000 0.00000 -0.00055 158 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00055 159 8PX 0.00000 0.00000 0.00003 0.00007 -0.00111 160 8PY 0.00000 0.00000 0.00003 0.00007 -0.00111 161 8PZ 0.00000 0.00000 0.00003 0.00007 -0.00111 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 164 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00001 169 3S 0.00000 0.00000 0.00000 0.00000 -0.00014 170 4S 0.00000 0.00000 0.00000 0.00000 -0.00026 171 5S 0.00000 0.00000 0.00001 0.00001 -0.00043 172 6PX 0.00000 0.00000 0.00000 0.00000 -0.00013 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00013 174 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00055 176 7PY 0.00000 0.00000 0.00000 0.00000 -0.00055 177 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00055 178 8PX 0.00000 0.00000 0.00003 0.00007 -0.00111 179 8PY 0.00000 0.00000 0.00003 0.00007 -0.00111 180 8PZ 0.00000 0.00000 0.00003 0.00007 -0.00111 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 183 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 6 7 8 9 10 6 6S 0.01258 7 7PX 0.00000 2.26034 8 7PY 0.00000 0.00000 2.26034 9 7PZ 0.00000 0.00000 0.00000 2.26034 10 8PX 0.00000 -0.24495 0.00000 0.00000 1.57886 11 8PY 0.00000 0.00000 -0.24495 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.24495 0.00000 13 9PX 0.00000 -0.02113 0.00000 0.00000 0.29598 14 9PY 0.00000 0.00000 -0.02113 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 -0.02113 0.00000 16 10PX 0.00000 0.00029 0.00000 0.00000 -0.00573 17 10PY 0.00000 0.00000 0.00029 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00029 0.00000 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00015 0.00000 0.00000 0.00000 0.00000 35 2S -0.00084 0.00000 0.00000 0.00000 0.00000 36 3S 0.00236 0.00000 0.00000 0.00000 -0.00014 37 4S 0.00943 0.00004 0.00004 0.00004 -0.00130 38 5S 0.00170 0.00002 0.00002 0.00002 -0.00078 39 6PX 0.00042 0.00000 0.00000 0.00000 -0.00002 40 6PY 0.00042 0.00000 0.00000 0.00000 -0.00006 41 6PZ 0.00042 0.00000 0.00000 0.00000 -0.00006 42 7PX 0.00096 0.00000 0.00002 0.00002 -0.00005 43 7PY 0.00096 0.00002 0.00000 0.00002 -0.00057 44 7PZ 0.00096 0.00002 0.00002 0.00000 -0.00057 45 8PX -0.00033 0.00000 0.00000 0.00000 -0.00007 46 8PY -0.00033 0.00000 0.00000 0.00000 -0.00015 47 8PZ -0.00033 0.00000 0.00000 0.00000 -0.00015 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 53 3 C 1S -0.00015 0.00000 0.00000 0.00000 0.00000 54 2S -0.00084 0.00000 0.00000 0.00000 0.00000 55 3S 0.00236 0.00000 0.00000 0.00000 -0.00014 56 4S 0.00943 0.00004 0.00004 0.00004 -0.00130 57 5S 0.00170 0.00002 0.00002 0.00002 -0.00078 58 6PX 0.00042 0.00000 0.00000 0.00000 -0.00002 59 6PY 0.00042 0.00000 0.00000 0.00000 -0.00006 60 6PZ 0.00042 0.00000 0.00000 0.00000 -0.00006 61 7PX 0.00096 0.00000 0.00002 0.00002 -0.00005 62 7PY 0.00096 0.00002 0.00000 0.00002 -0.00057 63 7PZ 0.00096 0.00002 0.00002 0.00000 -0.00057 64 8PX -0.00033 0.00000 0.00000 0.00000 -0.00007 65 8PY -0.00033 0.00000 0.00000 0.00000 -0.00015 66 8PZ -0.00033 0.00000 0.00000 0.00000 -0.00015 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 72 4 C 1S -0.00015 0.00000 0.00000 0.00000 0.00000 73 2S -0.00084 0.00000 0.00000 0.00000 0.00000 74 3S 0.00236 0.00000 0.00000 0.00000 -0.00014 75 4S 0.00943 0.00004 0.00004 0.00004 -0.00130 76 5S 0.00170 0.00002 0.00002 0.00002 -0.00078 77 6PX 0.00042 0.00000 0.00000 0.00000 -0.00002 78 6PY 0.00042 0.00000 0.00000 0.00000 -0.00006 79 6PZ 0.00042 0.00000 0.00000 0.00000 -0.00006 80 7PX 0.00096 0.00000 0.00002 0.00002 -0.00005 81 7PY 0.00096 0.00002 0.00000 0.00002 -0.00057 82 7PZ 0.00096 0.00002 0.00002 0.00000 -0.00057 83 8PX -0.00033 0.00000 0.00000 0.00000 -0.00007 84 8PY -0.00033 0.00000 0.00000 0.00000 -0.00015 85 8PZ -0.00033 0.00000 0.00000 0.00000 -0.00015 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 91 5 C 1S -0.00015 0.00000 0.00000 0.00000 0.00000 92 2S -0.00084 0.00000 0.00000 0.00000 0.00000 93 3S 0.00236 0.00000 0.00000 0.00000 -0.00014 94 4S 0.00943 0.00004 0.00004 0.00004 -0.00130 95 5S 0.00170 0.00002 0.00002 0.00002 -0.00078 96 6PX 0.00042 0.00000 0.00000 0.00000 -0.00002 97 6PY 0.00042 0.00000 0.00000 0.00000 -0.00006 98 6PZ 0.00042 0.00000 0.00000 0.00000 -0.00006 99 7PX 0.00096 0.00000 0.00002 0.00002 -0.00005 100 7PY 0.00096 0.00002 0.00000 0.00002 -0.00057 101 7PZ 0.00096 0.00002 0.00002 0.00000 -0.00057 102 8PX -0.00033 0.00000 0.00000 0.00000 -0.00007 103 8PY -0.00033 0.00000 0.00000 0.00000 -0.00015 104 8PZ -0.00033 0.00000 0.00000 0.00000 -0.00015 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 111 2S 0.00007 0.00000 0.00000 0.00000 0.00000 112 3S -0.00008 0.00000 0.00000 0.00000 0.00000 113 4S 0.00005 0.00000 0.00000 0.00000 0.00000 114 5S 0.00035 0.00000 0.00000 0.00000 0.00002 115 6PX -0.00009 0.00000 0.00000 0.00000 0.00000 116 6PY -0.00009 0.00000 0.00000 0.00000 0.00000 117 6PZ -0.00009 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00029 0.00000 0.00000 0.00000 0.00000 119 7PY -0.00029 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00029 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00043 0.00000 0.00000 0.00000 0.00000 122 8PY -0.00043 0.00000 0.00000 0.00000 0.00004 123 8PZ -0.00043 0.00000 0.00000 0.00000 0.00004 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 130 2S 0.00007 0.00000 0.00000 0.00000 0.00000 131 3S -0.00008 0.00000 0.00000 0.00000 0.00000 132 4S 0.00005 0.00000 0.00000 0.00000 0.00000 133 5S 0.00035 0.00000 0.00000 0.00000 0.00002 134 6PX -0.00009 0.00000 0.00000 0.00000 0.00000 135 6PY -0.00009 0.00000 0.00000 0.00000 0.00000 136 6PZ -0.00009 0.00000 0.00000 0.00000 0.00000 137 7PX -0.00029 0.00000 0.00000 0.00000 0.00000 138 7PY -0.00029 0.00000 0.00000 0.00000 0.00000 139 7PZ -0.00029 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00043 0.00000 0.00000 0.00000 0.00000 141 8PY -0.00043 0.00000 0.00000 0.00000 0.00004 142 8PZ -0.00043 0.00000 0.00000 0.00000 0.00004 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 149 2S 0.00007 0.00000 0.00000 0.00000 0.00000 150 3S -0.00008 0.00000 0.00000 0.00000 0.00000 151 4S 0.00005 0.00000 0.00000 0.00000 0.00000 152 5S 0.00035 0.00000 0.00000 0.00000 0.00002 153 6PX -0.00009 0.00000 0.00000 0.00000 0.00000 154 6PY -0.00009 0.00000 0.00000 0.00000 0.00000 155 6PZ -0.00009 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00029 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00029 0.00000 0.00000 0.00000 0.00000 158 7PZ -0.00029 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00043 0.00000 0.00000 0.00000 0.00000 160 8PY -0.00043 0.00000 0.00000 0.00000 0.00004 161 8PZ -0.00043 0.00000 0.00000 0.00000 0.00004 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 168 2S 0.00007 0.00000 0.00000 0.00000 0.00000 169 3S -0.00008 0.00000 0.00000 0.00000 0.00000 170 4S 0.00005 0.00000 0.00000 0.00000 0.00000 171 5S 0.00035 0.00000 0.00000 0.00000 0.00002 172 6PX -0.00009 0.00000 0.00000 0.00000 0.00000 173 6PY -0.00009 0.00000 0.00000 0.00000 0.00000 174 6PZ -0.00009 0.00000 0.00000 0.00000 0.00000 175 7PX -0.00029 0.00000 0.00000 0.00000 0.00000 176 7PY -0.00029 0.00000 0.00000 0.00000 0.00000 177 7PZ -0.00029 0.00000 0.00000 0.00000 0.00000 178 8PX -0.00043 0.00000 0.00000 0.00000 0.00000 179 8PY -0.00043 0.00000 0.00000 0.00000 0.00004 180 8PZ -0.00043 0.00000 0.00000 0.00000 0.00004 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 8PY 1.57886 12 8PZ 0.00000 1.57886 13 9PX 0.00000 0.00000 0.13430 14 9PY 0.29598 0.00000 0.00000 0.13430 15 9PZ 0.00000 0.29598 0.00000 0.00000 0.13430 16 10PX 0.00000 0.00000 0.00024 0.00000 0.00000 17 10PY -0.00573 0.00000 0.00000 0.00024 0.00000 18 10PZ 0.00000 -0.00573 0.00000 0.00000 0.00024 19 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S -0.00014 -0.00014 -0.00008 -0.00008 -0.00008 37 4S -0.00130 -0.00130 -0.00049 -0.00049 -0.00049 38 5S -0.00078 -0.00078 -0.00047 -0.00047 -0.00047 39 6PX -0.00006 -0.00006 -0.00002 -0.00007 -0.00007 40 6PY -0.00002 -0.00006 -0.00007 -0.00002 -0.00007 41 6PZ -0.00006 -0.00002 -0.00007 -0.00007 -0.00002 42 7PX -0.00057 -0.00057 0.00000 -0.00017 -0.00017 43 7PY -0.00005 -0.00057 -0.00017 0.00000 -0.00017 44 7PZ -0.00057 -0.00005 -0.00017 -0.00017 0.00000 45 8PX -0.00015 -0.00015 -0.00004 -0.00013 -0.00013 46 8PY -0.00007 -0.00015 -0.00013 -0.00004 -0.00013 47 8PZ -0.00015 -0.00007 -0.00013 -0.00013 -0.00004 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00002 0.00002 0.00002 0.00003 0.00002 50 9D-1 0.00002 0.00002 0.00003 0.00002 0.00002 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00002 0.00002 0.00002 0.00002 0.00003 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S -0.00014 -0.00014 -0.00008 -0.00008 -0.00008 56 4S -0.00130 -0.00130 -0.00049 -0.00049 -0.00049 57 5S -0.00078 -0.00078 -0.00047 -0.00047 -0.00047 58 6PX -0.00006 -0.00006 -0.00002 -0.00007 -0.00007 59 6PY -0.00002 -0.00006 -0.00007 -0.00002 -0.00007 60 6PZ -0.00006 -0.00002 -0.00007 -0.00007 -0.00002 61 7PX -0.00057 -0.00057 0.00000 -0.00017 -0.00017 62 7PY -0.00005 -0.00057 -0.00017 0.00000 -0.00017 63 7PZ -0.00057 -0.00005 -0.00017 -0.00017 0.00000 64 8PX -0.00015 -0.00015 -0.00004 -0.00013 -0.00013 65 8PY -0.00007 -0.00015 -0.00013 -0.00004 -0.00013 66 8PZ -0.00015 -0.00007 -0.00013 -0.00013 -0.00004 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00002 0.00002 0.00002 0.00003 0.00002 69 9D-1 0.00002 0.00002 0.00003 0.00002 0.00002 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00002 0.00002 0.00002 0.00002 0.00003 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00014 -0.00014 -0.00008 -0.00008 -0.00008 75 4S -0.00130 -0.00130 -0.00049 -0.00049 -0.00049 76 5S -0.00078 -0.00078 -0.00047 -0.00047 -0.00047 77 6PX -0.00006 -0.00006 -0.00002 -0.00007 -0.00007 78 6PY -0.00002 -0.00006 -0.00007 -0.00002 -0.00007 79 6PZ -0.00006 -0.00002 -0.00007 -0.00007 -0.00002 80 7PX -0.00057 -0.00057 0.00000 -0.00017 -0.00017 81 7PY -0.00005 -0.00057 -0.00017 0.00000 -0.00017 82 7PZ -0.00057 -0.00005 -0.00017 -0.00017 0.00000 83 8PX -0.00015 -0.00015 -0.00004 -0.00013 -0.00013 84 8PY -0.00007 -0.00015 -0.00013 -0.00004 -0.00013 85 8PZ -0.00015 -0.00007 -0.00013 -0.00013 -0.00004 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00002 0.00002 0.00002 0.00003 0.00002 88 9D-1 0.00002 0.00002 0.00003 0.00002 0.00002 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00002 0.00002 0.00002 0.00002 0.00003 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00014 -0.00014 -0.00008 -0.00008 -0.00008 94 4S -0.00130 -0.00130 -0.00049 -0.00049 -0.00049 95 5S -0.00078 -0.00078 -0.00047 -0.00047 -0.00047 96 6PX -0.00006 -0.00006 -0.00002 -0.00007 -0.00007 97 6PY -0.00002 -0.00006 -0.00007 -0.00002 -0.00007 98 6PZ -0.00006 -0.00002 -0.00007 -0.00007 -0.00002 99 7PX -0.00057 -0.00057 0.00000 -0.00017 -0.00017 100 7PY -0.00005 -0.00057 -0.00017 0.00000 -0.00017 101 7PZ -0.00057 -0.00005 -0.00017 -0.00017 0.00000 102 8PX -0.00015 -0.00015 -0.00004 -0.00013 -0.00013 103 8PY -0.00007 -0.00015 -0.00013 -0.00004 -0.00013 104 8PZ -0.00015 -0.00007 -0.00013 -0.00013 -0.00004 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00002 0.00002 0.00002 0.00003 0.00002 107 9D-1 0.00002 0.00002 0.00003 0.00002 0.00002 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00002 0.00002 0.00002 0.00002 0.00003 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00002 0.00002 0.00002 0.00002 0.00002 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00004 0.00004 -0.00001 0.00004 0.00004 122 8PY 0.00000 0.00004 0.00004 -0.00001 0.00004 123 8PZ 0.00004 0.00000 0.00004 0.00004 -0.00001 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00002 0.00002 0.00002 0.00002 0.00002 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00004 0.00004 -0.00001 0.00004 0.00004 141 8PY 0.00000 0.00004 0.00004 -0.00001 0.00004 142 8PZ 0.00004 0.00000 0.00004 0.00004 -0.00001 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00002 0.00002 0.00002 0.00002 0.00002 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00004 0.00004 -0.00001 0.00004 0.00004 160 8PY 0.00000 0.00004 0.00004 -0.00001 0.00004 161 8PZ 0.00004 0.00000 0.00004 0.00004 -0.00001 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00002 0.00002 0.00002 0.00002 0.00002 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00004 0.00004 -0.00001 0.00004 0.00004 179 8PY 0.00000 0.00004 0.00004 -0.00001 0.00004 180 8PZ 0.00004 0.00000 0.00004 0.00004 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 10PX 0.11849 17 10PY 0.00000 0.11849 18 10PZ 0.00000 0.00000 0.11849 19 11D 0 0.00000 0.00000 0.00000 0.63402 20 11D+1 0.00000 0.00000 0.00000 0.00000 0.60409 21 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 22 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D 0 0.00000 0.00000 0.00000 0.19601 0.00000 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.18903 26 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.03998 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.03656 31 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 34 2 C 1S -0.00021 -0.00021 -0.00021 0.00000 0.00000 35 2S -0.00149 -0.00149 -0.00149 0.00000 0.00000 36 3S 0.00838 0.00838 0.00838 0.00000 0.00003 37 4S 0.02293 0.02293 0.02293 0.00000 0.00005 38 5S 0.01221 0.01221 0.01221 0.00000 -0.00006 39 6PX 0.00004 0.00362 0.00362 0.00000 -0.00001 40 6PY 0.00362 0.00004 0.00362 0.00000 0.00006 41 6PZ 0.00362 0.00362 0.00004 0.00001 -0.00001 42 7PX -0.00041 0.00585 0.00585 0.00006 -0.00007 43 7PY 0.00585 -0.00041 0.00585 0.00006 0.00049 44 7PZ 0.00585 0.00585 -0.00041 0.00024 -0.00007 45 8PX 0.00635 0.00010 0.00010 0.00005 0.00001 46 8PY 0.00010 0.00635 0.00010 0.00005 0.00022 47 8PZ 0.00010 0.00010 0.00635 0.00022 0.00001 48 9D 0 0.00008 0.00008 0.00032 0.00002 0.00000 49 9D+1 0.00000 -0.00005 0.00000 0.00000 0.00000 50 9D-1 -0.00005 0.00000 0.00000 0.00000 0.00003 51 9D+2 0.00024 0.00024 0.00000 0.00000 0.00001 52 9D-2 0.00000 0.00000 -0.00005 0.00001 0.00003 53 3 C 1S -0.00021 -0.00021 -0.00021 0.00000 0.00000 54 2S -0.00149 -0.00149 -0.00149 0.00000 0.00000 55 3S 0.00838 0.00838 0.00838 0.00000 0.00003 56 4S 0.02293 0.02293 0.02293 0.00000 0.00005 57 5S 0.01221 0.01221 0.01221 0.00000 -0.00006 58 6PX 0.00004 0.00362 0.00362 0.00000 -0.00001 59 6PY 0.00362 0.00004 0.00362 0.00000 0.00006 60 6PZ 0.00362 0.00362 0.00004 0.00001 -0.00001 61 7PX -0.00041 0.00585 0.00585 0.00006 -0.00007 62 7PY 0.00585 -0.00041 0.00585 0.00006 0.00049 63 7PZ 0.00585 0.00585 -0.00041 0.00024 -0.00007 64 8PX 0.00635 0.00010 0.00010 0.00005 0.00001 65 8PY 0.00010 0.00635 0.00010 0.00005 0.00022 66 8PZ 0.00010 0.00010 0.00635 0.00022 0.00001 67 9D 0 0.00008 0.00008 0.00032 0.00002 0.00000 68 9D+1 0.00000 -0.00005 0.00000 0.00000 0.00000 69 9D-1 -0.00005 0.00000 0.00000 0.00000 0.00003 70 9D+2 0.00024 0.00024 0.00000 0.00000 0.00001 71 9D-2 0.00000 0.00000 -0.00005 0.00001 0.00003 72 4 C 1S -0.00021 -0.00021 -0.00021 0.00000 0.00000 73 2S -0.00149 -0.00149 -0.00149 0.00000 0.00000 74 3S 0.00838 0.00838 0.00838 0.00000 0.00003 75 4S 0.02293 0.02293 0.02293 0.00000 0.00005 76 5S 0.01221 0.01221 0.01221 0.00000 -0.00006 77 6PX 0.00004 0.00362 0.00362 0.00000 -0.00001 78 6PY 0.00362 0.00004 0.00362 0.00000 0.00006 79 6PZ 0.00362 0.00362 0.00004 0.00001 -0.00001 80 7PX -0.00041 0.00585 0.00585 0.00006 -0.00007 81 7PY 0.00585 -0.00041 0.00585 0.00006 0.00049 82 7PZ 0.00585 0.00585 -0.00041 0.00024 -0.00007 83 8PX 0.00635 0.00010 0.00010 0.00005 0.00001 84 8PY 0.00010 0.00635 0.00010 0.00005 0.00022 85 8PZ 0.00010 0.00010 0.00635 0.00022 0.00001 86 9D 0 0.00008 0.00008 0.00032 0.00002 0.00000 87 9D+1 0.00000 -0.00005 0.00000 0.00000 0.00000 88 9D-1 -0.00005 0.00000 0.00000 0.00000 0.00003 89 9D+2 0.00024 0.00024 0.00000 0.00000 0.00001 90 9D-2 0.00000 0.00000 -0.00005 0.00001 0.00003 91 5 C 1S -0.00021 -0.00021 -0.00021 0.00000 0.00000 92 2S -0.00149 -0.00149 -0.00149 0.00000 0.00000 93 3S 0.00838 0.00838 0.00838 0.00000 0.00003 94 4S 0.02293 0.02293 0.02293 0.00000 0.00005 95 5S 0.01221 0.01221 0.01221 0.00000 -0.00006 96 6PX 0.00004 0.00362 0.00362 0.00000 -0.00001 97 6PY 0.00362 0.00004 0.00362 0.00000 0.00006 98 6PZ 0.00362 0.00362 0.00004 0.00001 -0.00001 99 7PX -0.00041 0.00585 0.00585 0.00006 -0.00007 100 7PY 0.00585 -0.00041 0.00585 0.00006 0.00049 101 7PZ 0.00585 0.00585 -0.00041 0.00024 -0.00007 102 8PX 0.00635 0.00010 0.00010 0.00005 0.00001 103 8PY 0.00010 0.00635 0.00010 0.00005 0.00022 104 8PZ 0.00010 0.00010 0.00635 0.00022 0.00001 105 9D 0 0.00008 0.00008 0.00032 0.00002 0.00000 106 9D+1 0.00000 -0.00005 0.00000 0.00000 0.00000 107 9D-1 -0.00005 0.00000 0.00000 0.00000 0.00003 108 9D+2 0.00024 0.00024 0.00000 0.00000 0.00001 109 9D-2 0.00000 0.00000 -0.00005 0.00001 0.00003 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00003 0.00003 0.00003 0.00000 0.00000 112 3S -0.00026 -0.00026 -0.00026 0.00000 0.00000 113 4S -0.00057 -0.00057 -0.00057 0.00000 0.00000 114 5S -0.00234 -0.00234 -0.00234 0.00000 0.00002 115 6PX 0.00002 -0.00029 -0.00029 0.00000 0.00000 116 6PY -0.00029 0.00002 -0.00029 0.00000 0.00000 117 6PZ -0.00029 -0.00029 0.00002 0.00000 0.00000 118 7PX 0.00011 -0.00117 -0.00117 0.00000 0.00000 119 7PY -0.00117 0.00011 -0.00117 0.00000 0.00000 120 7PZ -0.00117 -0.00117 0.00011 0.00000 0.00000 121 8PX 0.00075 -0.00291 -0.00291 -0.00001 0.00003 122 8PY -0.00291 0.00075 -0.00291 -0.00001 -0.00006 123 8PZ -0.00291 -0.00291 0.00075 -0.00002 0.00003 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 -0.00001 -0.00002 -0.00001 0.00000 0.00000 126 9D-1 -0.00002 -0.00001 -0.00001 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 -0.00001 -0.00001 -0.00002 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00003 0.00003 0.00003 0.00000 0.00000 131 3S -0.00026 -0.00026 -0.00026 0.00000 0.00000 132 4S -0.00057 -0.00057 -0.00057 0.00000 0.00000 133 5S -0.00234 -0.00234 -0.00234 0.00000 0.00002 134 6PX 0.00002 -0.00029 -0.00029 0.00000 0.00000 135 6PY -0.00029 0.00002 -0.00029 0.00000 0.00000 136 6PZ -0.00029 -0.00029 0.00002 0.00000 0.00000 137 7PX 0.00011 -0.00117 -0.00117 0.00000 0.00000 138 7PY -0.00117 0.00011 -0.00117 0.00000 0.00000 139 7PZ -0.00117 -0.00117 0.00011 0.00000 0.00000 140 8PX 0.00075 -0.00291 -0.00291 -0.00001 0.00003 141 8PY -0.00291 0.00075 -0.00291 -0.00001 -0.00006 142 8PZ -0.00291 -0.00291 0.00075 -0.00002 0.00003 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 -0.00001 -0.00002 -0.00001 0.00000 0.00000 145 9D-1 -0.00002 -0.00001 -0.00001 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 -0.00001 -0.00001 -0.00002 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00003 0.00003 0.00003 0.00000 0.00000 150 3S -0.00026 -0.00026 -0.00026 0.00000 0.00000 151 4S -0.00057 -0.00057 -0.00057 0.00000 0.00000 152 5S -0.00234 -0.00234 -0.00234 0.00000 0.00002 153 6PX 0.00002 -0.00029 -0.00029 0.00000 0.00000 154 6PY -0.00029 0.00002 -0.00029 0.00000 0.00000 155 6PZ -0.00029 -0.00029 0.00002 0.00000 0.00000 156 7PX 0.00011 -0.00117 -0.00117 0.00000 0.00000 157 7PY -0.00117 0.00011 -0.00117 0.00000 0.00000 158 7PZ -0.00117 -0.00117 0.00011 0.00000 0.00000 159 8PX 0.00075 -0.00291 -0.00291 -0.00001 0.00003 160 8PY -0.00291 0.00075 -0.00291 -0.00001 -0.00006 161 8PZ -0.00291 -0.00291 0.00075 -0.00002 0.00003 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00001 -0.00002 -0.00001 0.00000 0.00000 164 9D-1 -0.00002 -0.00001 -0.00001 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00001 -0.00001 -0.00002 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00003 0.00003 0.00003 0.00000 0.00000 169 3S -0.00026 -0.00026 -0.00026 0.00000 0.00000 170 4S -0.00057 -0.00057 -0.00057 0.00000 0.00000 171 5S -0.00234 -0.00234 -0.00234 0.00000 0.00002 172 6PX 0.00002 -0.00029 -0.00029 0.00000 0.00000 173 6PY -0.00029 0.00002 -0.00029 0.00000 0.00000 174 6PZ -0.00029 -0.00029 0.00002 0.00000 0.00000 175 7PX 0.00011 -0.00117 -0.00117 0.00000 0.00000 176 7PY -0.00117 0.00011 -0.00117 0.00000 0.00000 177 7PZ -0.00117 -0.00117 0.00011 0.00000 0.00000 178 8PX 0.00075 -0.00291 -0.00291 -0.00001 0.00003 179 8PY -0.00291 0.00075 -0.00291 -0.00001 -0.00006 180 8PZ -0.00291 -0.00291 0.00075 -0.00002 0.00003 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 -0.00001 -0.00002 -0.00001 0.00000 0.00000 183 9D-1 -0.00002 -0.00001 -0.00001 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 -0.00001 -0.00001 -0.00002 0.00000 0.00000 21 22 23 24 25 21 11D-1 0.60409 22 11D+2 0.00000 0.63402 23 11D-2 0.00000 0.00000 0.60409 24 12D 0 0.00000 0.00000 0.00000 0.23868 25 12D+1 0.00000 0.00000 0.00000 0.00000 0.23308 26 12D-1 0.18903 0.00000 0.00000 0.00000 0.00000 27 12D+2 0.00000 0.19601 0.00000 0.00000 0.00000 28 12D-2 0.00000 0.00000 0.18903 0.00000 0.00000 29 13D 0 0.00000 0.00000 0.00000 0.11055 0.00000 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.10238 31 13D-1 0.03656 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.03998 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.03656 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00003 0.00000 0.00003 0.00000 0.00027 37 4S 0.00005 0.00000 0.00005 0.00000 0.00037 38 5S -0.00006 0.00000 -0.00006 0.00000 -0.00027 39 6PX 0.00006 0.00001 -0.00001 0.00004 -0.00007 40 6PY -0.00001 0.00001 -0.00001 0.00004 0.00071 41 6PZ -0.00001 0.00000 0.00006 0.00016 -0.00007 42 7PX 0.00049 0.00018 -0.00007 0.00029 -0.00023 43 7PY -0.00007 0.00018 -0.00007 0.00029 0.00204 44 7PZ -0.00007 0.00000 0.00049 0.00115 -0.00023 45 8PX 0.00022 0.00016 0.00001 0.00024 0.00004 46 8PY 0.00001 0.00016 0.00001 0.00024 0.00094 47 8PZ 0.00001 0.00000 0.00022 0.00097 0.00004 48 9D 0 0.00000 0.00000 0.00001 0.00015 0.00003 49 9D+1 0.00003 0.00001 0.00003 0.00002 0.00003 50 9D-1 0.00000 0.00001 0.00003 0.00002 0.00018 51 9D+2 0.00001 0.00002 0.00000 0.00000 0.00009 52 9D-2 0.00003 0.00000 0.00000 0.00009 0.00018 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2S 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00003 0.00000 0.00003 0.00000 0.00027 56 4S 0.00005 0.00000 0.00005 0.00000 0.00037 57 5S -0.00006 0.00000 -0.00006 0.00000 -0.00027 58 6PX 0.00006 0.00001 -0.00001 0.00004 -0.00007 59 6PY -0.00001 0.00001 -0.00001 0.00004 0.00071 60 6PZ -0.00001 0.00000 0.00006 0.00016 -0.00007 61 7PX 0.00049 0.00018 -0.00007 0.00029 -0.00023 62 7PY -0.00007 0.00018 -0.00007 0.00029 0.00204 63 7PZ -0.00007 0.00000 0.00049 0.00115 -0.00023 64 8PX 0.00022 0.00016 0.00001 0.00024 0.00004 65 8PY 0.00001 0.00016 0.00001 0.00024 0.00094 66 8PZ 0.00001 0.00000 0.00022 0.00097 0.00004 67 9D 0 0.00000 0.00000 0.00001 0.00015 0.00003 68 9D+1 0.00003 0.00001 0.00003 0.00002 0.00003 69 9D-1 0.00000 0.00001 0.00003 0.00002 0.00018 70 9D+2 0.00001 0.00002 0.00000 0.00000 0.00009 71 9D-2 0.00003 0.00000 0.00000 0.00009 0.00018 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00003 0.00000 0.00003 0.00000 0.00027 75 4S 0.00005 0.00000 0.00005 0.00000 0.00037 76 5S -0.00006 0.00000 -0.00006 0.00000 -0.00027 77 6PX 0.00006 0.00001 -0.00001 0.00004 -0.00007 78 6PY -0.00001 0.00001 -0.00001 0.00004 0.00071 79 6PZ -0.00001 0.00000 0.00006 0.00016 -0.00007 80 7PX 0.00049 0.00018 -0.00007 0.00029 -0.00023 81 7PY -0.00007 0.00018 -0.00007 0.00029 0.00204 82 7PZ -0.00007 0.00000 0.00049 0.00115 -0.00023 83 8PX 0.00022 0.00016 0.00001 0.00024 0.00004 84 8PY 0.00001 0.00016 0.00001 0.00024 0.00094 85 8PZ 0.00001 0.00000 0.00022 0.00097 0.00004 86 9D 0 0.00000 0.00000 0.00001 0.00015 0.00003 87 9D+1 0.00003 0.00001 0.00003 0.00002 0.00003 88 9D-1 0.00000 0.00001 0.00003 0.00002 0.00018 89 9D+2 0.00001 0.00002 0.00000 0.00000 0.00009 90 9D-2 0.00003 0.00000 0.00000 0.00009 0.00018 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00003 0.00000 0.00003 0.00000 0.00027 94 4S 0.00005 0.00000 0.00005 0.00000 0.00037 95 5S -0.00006 0.00000 -0.00006 0.00000 -0.00027 96 6PX 0.00006 0.00001 -0.00001 0.00004 -0.00007 97 6PY -0.00001 0.00001 -0.00001 0.00004 0.00071 98 6PZ -0.00001 0.00000 0.00006 0.00016 -0.00007 99 7PX 0.00049 0.00018 -0.00007 0.00029 -0.00023 100 7PY -0.00007 0.00018 -0.00007 0.00029 0.00204 101 7PZ -0.00007 0.00000 0.00049 0.00115 -0.00023 102 8PX 0.00022 0.00016 0.00001 0.00024 0.00004 103 8PY 0.00001 0.00016 0.00001 0.00024 0.00094 104 8PZ 0.00001 0.00000 0.00022 0.00097 0.00004 105 9D 0 0.00000 0.00000 0.00001 0.00015 0.00003 106 9D+1 0.00003 0.00001 0.00003 0.00002 0.00003 107 9D-1 0.00000 0.00001 0.00003 0.00002 0.00018 108 9D+2 0.00001 0.00002 0.00000 0.00000 0.00009 109 9D-2 0.00003 0.00000 0.00000 0.00009 0.00018 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00002 0.00000 0.00002 0.00000 0.00009 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00006 -0.00002 0.00003 -0.00003 0.00013 122 8PY 0.00003 -0.00002 0.00003 -0.00003 -0.00033 123 8PZ 0.00003 0.00000 -0.00006 -0.00012 0.00013 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00002 0.00000 0.00002 0.00000 0.00009 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00006 -0.00002 0.00003 -0.00003 0.00013 141 8PY 0.00003 -0.00002 0.00003 -0.00003 -0.00033 142 8PZ 0.00003 0.00000 -0.00006 -0.00012 0.00013 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00002 0.00000 0.00002 0.00000 0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00006 -0.00002 0.00003 -0.00003 0.00013 160 8PY 0.00003 -0.00002 0.00003 -0.00003 -0.00033 161 8PZ 0.00003 0.00000 -0.00006 -0.00012 0.00013 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00002 0.00000 0.00002 0.00000 0.00009 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX -0.00006 -0.00002 0.00003 -0.00003 0.00013 179 8PY 0.00003 -0.00002 0.00003 -0.00003 -0.00033 180 8PZ 0.00003 0.00000 -0.00006 -0.00012 0.00013 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 12D-1 0.23308 27 12D+2 0.00000 0.23868 28 12D-2 0.00000 0.00000 0.23308 29 13D 0 0.00000 0.00000 0.00000 0.15016 30 13D+1 0.00000 0.00000 0.00000 0.00000 0.13261 31 13D-1 0.10238 0.00000 0.00000 0.00000 0.00000 32 13D+2 0.00000 0.11055 0.00000 0.00000 0.00000 33 13D-2 0.00000 0.00000 0.10238 0.00000 0.00000 34 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 35 2S 0.00000 0.00000 0.00000 0.00000 -0.00017 36 3S 0.00027 0.00000 0.00027 0.00000 0.00117 37 4S 0.00037 0.00000 0.00037 0.00000 0.00135 38 5S -0.00027 0.00000 -0.00027 0.00000 -0.00086 39 6PX 0.00071 0.00012 -0.00007 0.00037 -0.00006 40 6PY -0.00007 0.00012 -0.00007 0.00037 0.00380 41 6PZ -0.00007 0.00000 0.00071 0.00149 -0.00006 42 7PX 0.00204 0.00086 -0.00023 0.00104 -0.00020 43 7PY -0.00023 0.00086 -0.00023 0.00104 0.00531 44 7PZ -0.00023 0.00000 0.00204 0.00415 -0.00020 45 8PX 0.00094 0.00072 0.00004 0.00091 0.00023 46 8PY 0.00004 0.00072 0.00004 0.00091 0.00280 47 8PZ 0.00004 0.00000 0.00094 0.00365 0.00023 48 9D 0 0.00003 0.00000 0.00011 0.00055 0.00011 49 9D+1 0.00018 0.00006 0.00018 0.00009 0.00002 50 9D-1 0.00003 0.00006 0.00018 0.00009 0.00021 51 9D+2 0.00009 0.00015 0.00000 0.00000 0.00032 52 9D-2 0.00018 0.00000 0.00003 0.00036 0.00021 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00017 55 3S 0.00027 0.00000 0.00027 0.00000 0.00117 56 4S 0.00037 0.00000 0.00037 0.00000 0.00135 57 5S -0.00027 0.00000 -0.00027 0.00000 -0.00086 58 6PX 0.00071 0.00012 -0.00007 0.00037 -0.00006 59 6PY -0.00007 0.00012 -0.00007 0.00037 0.00380 60 6PZ -0.00007 0.00000 0.00071 0.00149 -0.00006 61 7PX 0.00204 0.00086 -0.00023 0.00104 -0.00020 62 7PY -0.00023 0.00086 -0.00023 0.00104 0.00531 63 7PZ -0.00023 0.00000 0.00204 0.00415 -0.00020 64 8PX 0.00094 0.00072 0.00004 0.00091 0.00023 65 8PY 0.00004 0.00072 0.00004 0.00091 0.00280 66 8PZ 0.00004 0.00000 0.00094 0.00365 0.00023 67 9D 0 0.00003 0.00000 0.00011 0.00055 0.00011 68 9D+1 0.00018 0.00006 0.00018 0.00009 0.00002 69 9D-1 0.00003 0.00006 0.00018 0.00009 0.00021 70 9D+2 0.00009 0.00015 0.00000 0.00000 0.00032 71 9D-2 0.00018 0.00000 0.00003 0.00036 0.00021 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00017 74 3S 0.00027 0.00000 0.00027 0.00000 0.00117 75 4S 0.00037 0.00000 0.00037 0.00000 0.00135 76 5S -0.00027 0.00000 -0.00027 0.00000 -0.00086 77 6PX 0.00071 0.00012 -0.00007 0.00037 -0.00006 78 6PY -0.00007 0.00012 -0.00007 0.00037 0.00380 79 6PZ -0.00007 0.00000 0.00071 0.00149 -0.00006 80 7PX 0.00204 0.00086 -0.00023 0.00104 -0.00020 81 7PY -0.00023 0.00086 -0.00023 0.00104 0.00531 82 7PZ -0.00023 0.00000 0.00204 0.00415 -0.00020 83 8PX 0.00094 0.00072 0.00004 0.00091 0.00023 84 8PY 0.00004 0.00072 0.00004 0.00091 0.00280 85 8PZ 0.00004 0.00000 0.00094 0.00365 0.00023 86 9D 0 0.00003 0.00000 0.00011 0.00055 0.00011 87 9D+1 0.00018 0.00006 0.00018 0.00009 0.00002 88 9D-1 0.00003 0.00006 0.00018 0.00009 0.00021 89 9D+2 0.00009 0.00015 0.00000 0.00000 0.00032 90 9D-2 0.00018 0.00000 0.00003 0.00036 0.00021 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 92 2S 0.00000 0.00000 0.00000 0.00000 -0.00017 93 3S 0.00027 0.00000 0.00027 0.00000 0.00117 94 4S 0.00037 0.00000 0.00037 0.00000 0.00135 95 5S -0.00027 0.00000 -0.00027 0.00000 -0.00086 96 6PX 0.00071 0.00012 -0.00007 0.00037 -0.00006 97 6PY -0.00007 0.00012 -0.00007 0.00037 0.00380 98 6PZ -0.00007 0.00000 0.00071 0.00149 -0.00006 99 7PX 0.00204 0.00086 -0.00023 0.00104 -0.00020 100 7PY -0.00023 0.00086 -0.00023 0.00104 0.00531 101 7PZ -0.00023 0.00000 0.00204 0.00415 -0.00020 102 8PX 0.00094 0.00072 0.00004 0.00091 0.00023 103 8PY 0.00004 0.00072 0.00004 0.00091 0.00280 104 8PZ 0.00004 0.00000 0.00094 0.00365 0.00023 105 9D 0 0.00003 0.00000 0.00011 0.00055 0.00011 106 9D+1 0.00018 0.00006 0.00018 0.00009 0.00002 107 9D-1 0.00003 0.00006 0.00018 0.00009 0.00021 108 9D+2 0.00009 0.00015 0.00000 0.00000 0.00032 109 9D-2 0.00018 0.00000 0.00003 0.00036 0.00021 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 114 5S 0.00009 0.00000 0.00009 0.00000 0.00064 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 116 6PY 0.00000 0.00000 0.00000 0.00000 -0.00003 117 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 118 7PX 0.00000 0.00000 0.00000 -0.00002 0.00006 119 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00025 120 7PZ 0.00000 0.00000 0.00000 -0.00007 0.00006 121 8PX -0.00033 -0.00009 0.00013 -0.00022 0.00049 122 8PY 0.00013 -0.00009 0.00013 -0.00022 -0.00162 123 8PZ 0.00013 0.00000 -0.00033 -0.00087 0.00049 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 133 5S 0.00009 0.00000 0.00009 0.00000 0.00064 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 135 6PY 0.00000 0.00000 0.00000 0.00000 -0.00003 136 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 137 7PX 0.00000 0.00000 0.00000 -0.00002 0.00006 138 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00025 139 7PZ 0.00000 0.00000 0.00000 -0.00007 0.00006 140 8PX -0.00033 -0.00009 0.00013 -0.00022 0.00049 141 8PY 0.00013 -0.00009 0.00013 -0.00022 -0.00162 142 8PZ 0.00013 0.00000 -0.00033 -0.00087 0.00049 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 152 5S 0.00009 0.00000 0.00009 0.00000 0.00064 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 154 6PY 0.00000 0.00000 0.00000 0.00000 -0.00003 155 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 156 7PX 0.00000 0.00000 0.00000 -0.00002 0.00006 157 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00025 158 7PZ 0.00000 0.00000 0.00000 -0.00007 0.00006 159 8PX -0.00033 -0.00009 0.00013 -0.00022 0.00049 160 8PY 0.00013 -0.00009 0.00013 -0.00022 -0.00162 161 8PZ 0.00013 0.00000 -0.00033 -0.00087 0.00049 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 171 5S 0.00009 0.00000 0.00009 0.00000 0.00064 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00003 174 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 175 7PX 0.00000 0.00000 0.00000 -0.00002 0.00006 176 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00025 177 7PZ 0.00000 0.00000 0.00000 -0.00007 0.00006 178 8PX -0.00033 -0.00009 0.00013 -0.00022 0.00049 179 8PY 0.00013 -0.00009 0.00013 -0.00022 -0.00162 180 8PZ 0.00013 0.00000 -0.00033 -0.00087 0.00049 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 13D-1 0.13261 32 13D+2 0.00000 0.15016 33 13D-2 0.00000 0.00000 0.13261 34 2 C 1S -0.00002 0.00000 -0.00002 0.45853 35 2S -0.00017 0.00000 -0.00017 0.42321 0.84594 36 3S 0.00117 0.00000 0.00117 -0.00874 -0.06784 37 4S 0.00135 0.00000 0.00135 -0.01132 -0.06886 38 5S -0.00086 0.00000 -0.00086 -0.00065 -0.00600 39 6PX 0.00380 0.00111 -0.00006 0.00000 0.00000 40 6PY -0.00006 0.00111 -0.00006 0.00000 0.00000 41 6PZ -0.00006 0.00000 0.00380 0.00000 0.00000 42 7PX 0.00531 0.00311 -0.00020 0.00000 0.00000 43 7PY -0.00020 0.00311 -0.00020 0.00000 0.00000 44 7PZ -0.00020 0.00000 0.00531 0.00000 0.00000 45 8PX 0.00280 0.00274 0.00023 0.00000 0.00000 46 8PY 0.00023 0.00274 0.00023 0.00000 0.00000 47 8PZ 0.00023 0.00000 0.00280 0.00000 0.00000 48 9D 0 0.00011 0.00000 0.00043 0.00000 0.00000 49 9D+1 0.00021 0.00027 0.00021 0.00000 0.00000 50 9D-1 0.00002 0.00027 0.00021 0.00000 0.00000 51 9D+2 0.00032 0.00055 0.00000 0.00000 0.00000 52 9D-2 0.00021 0.00000 0.00002 0.00000 0.00000 53 3 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 54 2S -0.00017 0.00000 -0.00017 0.00000 0.00000 55 3S 0.00117 0.00000 0.00117 0.00000 0.00000 56 4S 0.00135 0.00000 0.00135 0.00000 0.00000 57 5S -0.00086 0.00000 -0.00086 0.00002 0.00010 58 6PX 0.00380 0.00111 -0.00006 0.00000 0.00000 59 6PY -0.00006 0.00111 -0.00006 0.00000 0.00000 60 6PZ -0.00006 0.00000 0.00380 0.00000 0.00000 61 7PX 0.00531 0.00311 -0.00020 0.00000 0.00000 62 7PY -0.00020 0.00311 -0.00020 0.00000 0.00000 63 7PZ -0.00020 0.00000 0.00531 0.00000 0.00000 64 8PX 0.00280 0.00274 0.00023 -0.00001 -0.00004 65 8PY 0.00023 0.00274 0.00023 -0.00001 -0.00004 66 8PZ 0.00023 0.00000 0.00280 0.00000 0.00000 67 9D 0 0.00011 0.00000 0.00043 0.00000 0.00000 68 9D+1 0.00021 0.00027 0.00021 0.00000 0.00000 69 9D-1 0.00002 0.00027 0.00021 0.00000 0.00000 70 9D+2 0.00032 0.00055 0.00000 0.00000 0.00000 71 9D-2 0.00021 0.00000 0.00002 0.00000 0.00000 72 4 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 73 2S -0.00017 0.00000 -0.00017 0.00000 0.00000 74 3S 0.00117 0.00000 0.00117 0.00000 0.00000 75 4S 0.00135 0.00000 0.00135 0.00000 0.00000 76 5S -0.00086 0.00000 -0.00086 0.00002 0.00010 77 6PX 0.00380 0.00111 -0.00006 0.00000 0.00000 78 6PY -0.00006 0.00111 -0.00006 0.00000 0.00000 79 6PZ -0.00006 0.00000 0.00380 0.00000 0.00000 80 7PX 0.00531 0.00311 -0.00020 0.00000 0.00000 81 7PY -0.00020 0.00311 -0.00020 0.00000 0.00000 82 7PZ -0.00020 0.00000 0.00531 0.00000 0.00000 83 8PX 0.00280 0.00274 0.00023 -0.00001 -0.00004 84 8PY 0.00023 0.00274 0.00023 0.00000 0.00000 85 8PZ 0.00023 0.00000 0.00280 -0.00001 -0.00004 86 9D 0 0.00011 0.00000 0.00043 0.00000 0.00000 87 9D+1 0.00021 0.00027 0.00021 0.00000 0.00000 88 9D-1 0.00002 0.00027 0.00021 0.00000 0.00000 89 9D+2 0.00032 0.00055 0.00000 0.00000 0.00000 90 9D-2 0.00021 0.00000 0.00002 0.00000 0.00000 91 5 C 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 92 2S -0.00017 0.00000 -0.00017 0.00000 0.00000 93 3S 0.00117 0.00000 0.00117 0.00000 0.00000 94 4S 0.00135 0.00000 0.00135 0.00000 0.00000 95 5S -0.00086 0.00000 -0.00086 0.00002 0.00010 96 6PX 0.00380 0.00111 -0.00006 0.00000 0.00000 97 6PY -0.00006 0.00111 -0.00006 0.00000 0.00000 98 6PZ -0.00006 0.00000 0.00380 0.00000 0.00000 99 7PX 0.00531 0.00311 -0.00020 0.00000 0.00000 100 7PY -0.00020 0.00311 -0.00020 0.00000 0.00000 101 7PZ -0.00020 0.00000 0.00531 0.00000 0.00000 102 8PX 0.00280 0.00274 0.00023 0.00000 0.00000 103 8PY 0.00023 0.00274 0.00023 -0.00001 -0.00004 104 8PZ 0.00023 0.00000 0.00280 -0.00001 -0.00004 105 9D 0 0.00011 0.00000 0.00043 0.00000 0.00000 106 9D+1 0.00021 0.00027 0.00021 0.00000 0.00000 107 9D-1 0.00002 0.00027 0.00021 0.00000 0.00000 108 9D+2 0.00032 0.00055 0.00000 0.00000 0.00000 109 9D-2 0.00021 0.00000 0.00002 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 -0.00001 -0.00016 113 4S -0.00001 0.00000 -0.00001 -0.00023 -0.00108 114 5S 0.00064 0.00000 0.00064 0.00106 0.00670 115 6PX -0.00003 0.00000 0.00001 -0.00002 -0.00042 116 6PY 0.00001 0.00000 0.00001 -0.00002 -0.00042 117 6PZ 0.00001 0.00000 -0.00003 -0.00002 -0.00042 118 7PX -0.00025 -0.00005 0.00006 -0.00049 -0.00323 119 7PY 0.00006 -0.00005 0.00006 -0.00049 -0.00323 120 7PZ 0.00006 0.00000 -0.00025 -0.00049 -0.00323 121 8PX -0.00162 -0.00065 0.00049 -0.00006 -0.00056 122 8PY 0.00049 -0.00065 0.00049 -0.00006 -0.00056 123 8PZ 0.00049 0.00000 -0.00162 -0.00006 -0.00056 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 -0.00003 -0.00023 126 9D-1 0.00000 0.00000 0.00000 -0.00003 -0.00023 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 -0.00003 -0.00023 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S -0.00001 0.00000 -0.00001 0.00000 0.00000 133 5S 0.00064 0.00000 0.00064 0.00000 0.00000 134 6PX -0.00003 0.00000 0.00001 0.00000 0.00000 135 6PY 0.00001 0.00000 0.00001 0.00000 0.00000 136 6PZ 0.00001 0.00000 -0.00003 0.00000 0.00000 137 7PX -0.00025 -0.00005 0.00006 0.00000 0.00000 138 7PY 0.00006 -0.00005 0.00006 0.00000 0.00000 139 7PZ 0.00006 0.00000 -0.00025 0.00000 0.00000 140 8PX -0.00162 -0.00065 0.00049 0.00000 0.00000 141 8PY 0.00049 -0.00065 0.00049 0.00000 0.00000 142 8PZ 0.00049 0.00000 -0.00162 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S -0.00001 0.00000 -0.00001 0.00000 0.00000 152 5S 0.00064 0.00000 0.00064 0.00000 0.00000 153 6PX -0.00003 0.00000 0.00001 0.00000 0.00000 154 6PY 0.00001 0.00000 0.00001 0.00000 0.00000 155 6PZ 0.00001 0.00000 -0.00003 0.00000 0.00000 156 7PX -0.00025 -0.00005 0.00006 0.00000 0.00000 157 7PY 0.00006 -0.00005 0.00006 0.00000 0.00000 158 7PZ 0.00006 0.00000 -0.00025 0.00000 0.00000 159 8PX -0.00162 -0.00065 0.00049 0.00000 0.00000 160 8PY 0.00049 -0.00065 0.00049 0.00000 0.00000 161 8PZ 0.00049 0.00000 -0.00162 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S -0.00001 0.00000 -0.00001 0.00000 0.00000 171 5S 0.00064 0.00000 0.00064 0.00000 0.00000 172 6PX -0.00003 0.00000 0.00001 0.00000 0.00000 173 6PY 0.00001 0.00000 0.00001 0.00000 0.00000 174 6PZ 0.00001 0.00000 -0.00003 0.00000 0.00000 175 7PX -0.00025 -0.00005 0.00006 0.00000 0.00000 176 7PY 0.00006 -0.00005 0.00006 0.00000 0.00000 177 7PZ 0.00006 0.00000 -0.00025 0.00000 0.00000 178 8PX -0.00162 -0.00065 0.00049 0.00000 0.00000 179 8PY 0.00049 -0.00065 0.00049 0.00000 0.00000 180 8PZ 0.00049 0.00000 -0.00162 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.29416 37 4S 0.27442 0.42574 38 5S 0.04799 0.10848 0.05455 39 6PX 0.00000 0.00000 0.00000 0.18738 40 6PY 0.00000 0.00000 0.00000 0.00000 0.18738 41 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 7PX 0.00000 0.00000 0.00000 0.07467 0.00000 43 7PY 0.00000 0.00000 0.00000 0.00000 0.07467 44 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 8PX 0.00000 0.00000 0.00000 0.00501 0.00000 46 8PY 0.00000 0.00000 0.00000 0.00000 0.00501 47 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 54 2S 0.00000 0.00000 0.00010 0.00000 0.00000 55 3S 0.00000 -0.00007 -0.00072 0.00000 0.00000 56 4S -0.00007 -0.00059 -0.00282 0.00000 0.00000 57 5S -0.00072 -0.00282 -0.00342 -0.00014 -0.00014 58 6PX 0.00000 0.00000 -0.00014 0.00000 0.00000 59 6PY 0.00000 0.00000 -0.00014 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00010 -0.00024 0.00001 0.00003 62 7PY 0.00000 0.00010 -0.00024 0.00003 0.00001 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8PX 0.00007 0.00090 0.00176 -0.00003 0.00019 65 8PY 0.00007 0.00090 0.00176 0.00019 -0.00003 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 9D 0 0.00000 0.00001 0.00003 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00002 0.00004 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 73 2S 0.00000 0.00000 0.00010 0.00000 0.00000 74 3S 0.00000 -0.00007 -0.00072 0.00000 0.00000 75 4S -0.00007 -0.00059 -0.00282 0.00000 0.00000 76 5S -0.00072 -0.00282 -0.00342 -0.00014 0.00000 77 6PX 0.00000 0.00000 -0.00014 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 -0.00014 0.00000 0.00000 80 7PX 0.00000 0.00010 -0.00024 0.00001 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 0.00010 -0.00024 0.00003 0.00000 83 8PX 0.00007 0.00090 0.00176 -0.00003 0.00000 84 8PY 0.00000 0.00000 0.00000 0.00000 0.00007 85 8PZ 0.00007 0.00090 0.00176 0.00019 0.00000 86 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 87 9D+1 0.00000 0.00002 0.00004 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00001 0.00002 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 92 2S 0.00000 0.00000 0.00010 0.00000 0.00000 93 3S 0.00000 -0.00007 -0.00072 0.00000 0.00000 94 4S -0.00007 -0.00059 -0.00282 0.00000 0.00000 95 5S -0.00072 -0.00282 -0.00342 0.00000 -0.00014 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 -0.00014 0.00000 0.00000 98 6PZ 0.00000 0.00000 -0.00014 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00010 -0.00024 0.00000 0.00001 101 7PZ 0.00000 0.00010 -0.00024 0.00000 0.00003 102 8PX 0.00000 0.00000 0.00000 0.00007 0.00000 103 8PY 0.00007 0.00090 0.00176 0.00000 -0.00003 104 8PZ 0.00007 0.00090 0.00176 0.00000 0.00019 105 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00002 0.00004 0.00000 0.00000 108 9D+2 0.00000 0.00001 0.00002 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S -0.00005 0.00019 -0.00008 -0.00008 -0.00008 111 2S -0.00047 0.00176 -0.00026 -0.00073 -0.00073 112 3S 0.00319 -0.01384 -0.00257 0.00577 0.00577 113 4S 0.00001 -0.03641 -0.00397 0.00770 0.00770 114 5S -0.03451 -0.07492 -0.01954 0.00102 0.00102 115 6PX 0.00732 0.00269 -0.00056 -0.00149 0.01201 116 6PY 0.00732 0.00269 -0.00056 0.01201 -0.00149 117 6PZ 0.00732 0.00269 -0.00056 0.01201 0.01201 118 7PX 0.01563 0.00519 -0.00167 -0.00025 0.02068 119 7PY 0.01563 0.00519 -0.00167 0.02068 -0.00025 120 7PZ 0.01563 0.00519 -0.00167 0.02068 0.02068 121 8PX 0.00512 0.00020 -0.00251 0.00277 0.00478 122 8PY 0.00512 0.00020 -0.00251 0.00478 0.00277 123 8PZ 0.00512 0.00020 -0.00251 0.00478 0.00478 124 9D 0 0.00000 0.00000 0.00000 0.00026 0.00026 125 9D+1 0.00081 0.00015 -0.00001 0.00017 0.00172 126 9D-1 0.00081 0.00015 -0.00001 0.00172 0.00017 127 9D+2 0.00000 0.00000 0.00000 0.00078 0.00078 128 9D-2 0.00081 0.00015 -0.00001 0.00017 0.00017 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00001 0.00000 0.00000 132 4S 0.00000 0.00000 0.00003 0.00000 0.00000 133 5S 0.00000 0.00003 0.00020 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00001 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 -0.00002 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00003 0.00000 0.00000 139 7PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 140 8PX 0.00000 -0.00004 -0.00018 0.00000 0.00000 141 8PY 0.00000 0.00004 0.00018 0.00000 0.00000 142 8PZ 0.00000 -0.00004 -0.00018 -0.00001 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00001 0.00000 0.00000 151 4S 0.00000 0.00000 0.00003 0.00000 0.00000 152 5S 0.00000 0.00003 0.00020 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00001 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00003 0.00000 0.00000 157 7PY 0.00000 0.00000 -0.00002 0.00000 0.00000 158 7PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 159 8PX 0.00000 0.00004 0.00018 0.00000 0.00000 160 8PY 0.00000 -0.00004 -0.00018 0.00000 0.00000 161 8PZ 0.00000 -0.00004 -0.00018 0.00000 -0.00001 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00001 0.00000 0.00000 170 4S 0.00000 0.00000 0.00003 0.00000 0.00000 171 5S 0.00000 0.00003 0.00020 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000 175 7PX 0.00000 0.00000 -0.00002 0.00000 0.00000 176 7PY 0.00000 0.00000 -0.00002 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00003 0.00000 0.00000 178 8PX 0.00000 -0.00004 -0.00018 0.00000 -0.00001 179 8PY 0.00000 -0.00004 -0.00018 -0.00001 0.00000 180 8PZ 0.00000 0.00004 0.00018 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 6PZ 0.18738 42 7PX 0.00000 0.08270 43 7PY 0.00000 0.00000 0.08270 44 7PZ 0.07467 0.00000 0.00000 0.08270 45 8PX 0.00000 0.01385 0.00000 0.00000 0.01890 46 8PY 0.00000 0.00000 0.01385 0.00000 0.00000 47 8PZ 0.00501 0.00000 0.00000 0.01385 0.00000 48 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 49 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 54 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 55 3S 0.00000 0.00000 0.00000 0.00000 0.00007 56 4S 0.00000 0.00010 0.00010 0.00000 0.00090 57 5S 0.00000 -0.00024 -0.00024 0.00000 0.00176 58 6PX 0.00000 0.00001 0.00003 0.00000 -0.00003 59 6PY 0.00000 0.00003 0.00001 0.00000 0.00019 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00013 0.00034 0.00000 -0.00013 62 7PY 0.00000 0.00034 0.00013 0.00000 0.00056 63 7PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 64 8PX 0.00000 -0.00013 0.00056 0.00000 -0.00081 65 8PY 0.00000 0.00056 -0.00013 0.00000 0.00000 66 8PZ 0.00007 0.00000 0.00000 0.00035 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001 71 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00002 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 74 3S 0.00000 0.00000 0.00000 0.00000 0.00007 75 4S 0.00000 0.00010 0.00000 0.00010 0.00090 76 5S -0.00014 -0.00024 0.00000 -0.00024 0.00176 77 6PX 0.00000 0.00001 0.00000 0.00003 -0.00003 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00003 0.00000 0.00001 0.00019 80 7PX 0.00003 0.00013 0.00000 0.00034 -0.00013 81 7PY 0.00000 0.00000 -0.00003 0.00000 0.00000 82 7PZ 0.00001 0.00034 0.00000 0.00013 0.00056 83 8PX 0.00019 -0.00013 0.00000 0.00056 -0.00081 84 8PY 0.00000 0.00000 0.00035 0.00000 0.00000 85 8PZ -0.00003 0.00056 0.00000 -0.00013 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 87 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00002 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00000 0.00000 0.00010 0.00010 0.00000 95 5S -0.00014 0.00000 -0.00024 -0.00024 0.00000 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00007 97 6PY 0.00000 0.00000 0.00001 0.00003 0.00000 98 6PZ 0.00000 0.00000 0.00003 0.00001 0.00000 99 7PX 0.00000 -0.00003 0.00000 0.00000 0.00035 100 7PY 0.00003 0.00000 0.00013 0.00034 0.00000 101 7PZ 0.00001 0.00000 0.00034 0.00013 0.00000 102 8PX 0.00000 0.00035 0.00000 0.00000 0.00240 103 8PY 0.00019 0.00000 -0.00013 0.00056 0.00000 104 8PZ -0.00003 0.00000 0.00056 -0.00013 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S -0.00008 -0.00004 -0.00004 -0.00004 -0.00005 111 2S -0.00073 -0.00037 -0.00037 -0.00037 -0.00029 112 3S 0.00577 0.00282 0.00282 0.00282 0.00036 113 4S 0.00770 0.00165 0.00165 0.00165 0.00203 114 5S 0.00102 0.00060 0.00060 0.00060 0.00086 115 6PX 0.01201 0.00162 0.00775 0.00775 0.00206 116 6PY 0.01201 0.00775 0.00162 0.00775 -0.00007 117 6PZ -0.00149 0.00775 0.00775 0.00162 -0.00007 118 7PX 0.02068 0.00802 0.01438 0.01438 0.00632 119 7PY 0.02068 0.01438 0.00802 0.01438 -0.00007 120 7PZ -0.00025 0.01438 0.01438 0.00802 -0.00007 121 8PX 0.00478 0.00805 0.00561 0.00561 0.00371 122 8PY 0.00478 0.00561 0.00805 0.00561 -0.00046 123 8PZ 0.00277 0.00561 0.00561 0.00805 -0.00046 124 9D 0 0.00104 0.00021 0.00021 0.00085 0.00002 125 9D+1 0.00017 -0.00001 0.00047 -0.00001 0.00003 126 9D-1 0.00017 0.00047 -0.00001 -0.00001 0.00000 127 9D+2 0.00000 0.00064 0.00064 0.00000 0.00006 128 9D-2 0.00172 -0.00001 -0.00001 0.00047 0.00003 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 -0.00001 0.00000 -0.00024 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 138 7PY 0.00000 0.00000 0.00000 0.00000 -0.00001 139 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 140 8PX -0.00001 0.00000 -0.00001 -0.00005 0.00007 141 8PY 0.00000 0.00001 0.00000 0.00001 -0.00003 142 8PZ 0.00000 -0.00005 -0.00001 0.00000 -0.00038 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 0.00000 0.00000 -0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002 157 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002 158 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 159 8PX 0.00000 0.00000 0.00001 0.00001 -0.00018 160 8PY -0.00001 -0.00001 0.00000 -0.00005 -0.00013 161 8PZ 0.00000 -0.00001 -0.00005 0.00000 -0.00013 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 -0.00001 -0.00024 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 176 7PY 0.00000 0.00000 0.00000 0.00000 -0.00009 177 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 178 8PX 0.00000 0.00000 -0.00005 -0.00001 0.00007 179 8PY 0.00000 -0.00005 0.00000 -0.00001 -0.00038 180 8PZ 0.00000 0.00001 0.00001 0.00000 -0.00003 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 8PY 0.01890 47 8PZ 0.00000 0.01890 48 9D 0 0.00000 0.00000 0.00253 49 9D+1 0.00000 0.00000 0.00000 0.00191 50 9D-1 0.00000 0.00000 0.00000 0.00000 0.00191 51 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 52 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 53 3 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 54 2S -0.00004 0.00000 0.00000 0.00000 0.00000 55 3S 0.00007 0.00000 0.00000 0.00000 0.00000 56 4S 0.00090 0.00000 0.00001 0.00000 0.00000 57 5S 0.00176 0.00000 0.00003 0.00000 0.00000 58 6PX 0.00019 0.00000 0.00000 0.00000 0.00000 59 6PY -0.00003 0.00000 0.00000 0.00000 0.00000 60 6PZ 0.00000 0.00007 0.00000 0.00000 0.00000 61 7PX 0.00056 0.00000 0.00000 0.00000 0.00000 62 7PY -0.00013 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00035 0.00000 0.00000 0.00000 64 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PY -0.00081 0.00000 0.00000 0.00000 0.00000 66 8PZ 0.00000 0.00240 0.00000 0.00002 0.00002 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00002 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00002 0.00000 0.00000 0.00000 70 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 71 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 73 2S 0.00000 -0.00004 0.00000 0.00000 0.00000 74 3S 0.00000 0.00007 0.00000 0.00000 0.00000 75 4S 0.00000 0.00090 0.00000 0.00002 0.00000 76 5S 0.00000 0.00176 0.00001 0.00004 0.00000 77 6PX 0.00000 0.00019 0.00000 0.00000 0.00000 78 6PY 0.00007 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00056 0.00000 0.00000 0.00000 81 7PY 0.00035 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 -0.00013 0.00000 0.00000 0.00000 83 8PX 0.00000 0.00000 0.00001 -0.00002 0.00000 84 8PY 0.00240 0.00000 0.00000 0.00000 0.00002 85 8PZ 0.00000 -0.00081 0.00000 -0.00002 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 -0.00002 0.00000 0.00000 0.00000 88 9D-1 0.00002 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 90 9D-2 0.00002 0.00000 0.00000 0.00000 0.00000 91 5 C 1S -0.00001 -0.00001 0.00000 0.00000 0.00000 92 2S -0.00004 -0.00004 0.00000 0.00000 0.00000 93 3S 0.00007 0.00007 0.00000 0.00000 0.00000 94 4S 0.00090 0.00090 0.00000 0.00000 0.00002 95 5S 0.00176 0.00176 0.00001 0.00000 0.00004 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY -0.00003 0.00019 0.00000 0.00000 0.00000 98 6PZ 0.00019 -0.00003 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY -0.00013 0.00056 0.00000 0.00000 0.00000 101 7PZ 0.00056 -0.00013 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00002 0.00000 103 8PY -0.00081 0.00000 0.00001 0.00000 -0.00002 104 8PZ 0.00000 -0.00081 0.00000 0.00000 -0.00002 105 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 -0.00002 -0.00002 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S -0.00005 -0.00005 0.00000 -0.00004 -0.00004 111 2S -0.00029 -0.00029 0.00000 -0.00034 -0.00034 112 3S 0.00036 0.00036 0.00000 0.00153 0.00153 113 4S 0.00203 0.00203 0.00000 0.00133 0.00133 114 5S 0.00086 0.00086 0.00000 0.00008 0.00008 115 6PX -0.00007 -0.00007 0.00063 0.00012 0.00347 116 6PY 0.00206 -0.00007 0.00063 0.00347 0.00012 117 6PZ -0.00007 0.00206 0.00253 0.00012 0.00012 118 7PX -0.00007 -0.00007 0.00109 0.00000 0.00329 119 7PY 0.00632 -0.00007 0.00109 0.00329 0.00000 120 7PZ -0.00007 0.00632 0.00437 0.00000 0.00000 121 8PX -0.00046 -0.00046 0.00036 0.00007 0.00041 122 8PY 0.00371 -0.00046 0.00036 0.00041 0.00007 123 8PZ -0.00046 0.00371 0.00143 0.00007 0.00007 124 9D 0 0.00002 0.00008 0.00030 0.00004 0.00004 125 9D+1 0.00000 0.00003 0.00004 0.00000 0.00006 126 9D-1 0.00003 0.00003 0.00004 0.00006 0.00000 127 9D+2 0.00006 0.00000 0.00000 0.00011 0.00011 128 9D-2 0.00003 0.00000 0.00015 0.00006 0.00006 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00009 -0.00024 0.00000 0.00000 0.00000 134 6PX 0.00000 -0.00002 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX -0.00002 -0.00009 0.00000 0.00000 0.00000 138 7PY -0.00002 -0.00001 0.00000 0.00000 0.00000 139 7PZ -0.00002 -0.00001 0.00000 0.00000 0.00000 140 8PX -0.00013 -0.00038 0.00000 0.00000 0.00000 141 8PY -0.00018 -0.00003 0.00000 0.00000 0.00000 142 8PZ -0.00013 0.00007 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S -0.00024 -0.00024 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 -0.00002 0.00000 0.00000 0.00000 155 6PZ -0.00002 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00001 -0.00001 0.00000 0.00000 0.00000 157 7PY -0.00001 -0.00009 0.00000 0.00000 0.00000 158 7PZ -0.00009 -0.00001 0.00000 0.00000 0.00000 159 8PX -0.00003 -0.00003 0.00000 0.00000 0.00000 160 8PY 0.00007 -0.00038 0.00000 0.00000 0.00000 161 8PZ -0.00038 0.00007 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S -0.00001 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S -0.00024 -0.00009 0.00000 0.00000 0.00000 172 6PX -0.00002 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX -0.00009 -0.00002 0.00000 0.00000 0.00000 176 7PY -0.00001 -0.00002 0.00000 0.00000 0.00000 177 7PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 178 8PX -0.00038 -0.00013 0.00000 0.00000 0.00000 179 8PY 0.00007 -0.00013 0.00000 0.00000 0.00000 180 8PZ -0.00003 -0.00018 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 9D+2 0.00253 52 9D-2 0.00000 0.00191 53 3 C 1S 0.00000 0.00000 0.45853 54 2S 0.00000 0.00000 0.42321 0.84594 55 3S 0.00000 0.00000 -0.00874 -0.06784 0.29416 56 4S 0.00000 0.00002 -0.01132 -0.06886 0.27442 57 5S 0.00000 0.00004 -0.00065 -0.00600 0.04799 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8PX 0.00001 -0.00002 0.00000 0.00000 0.00000 65 8PY 0.00001 -0.00002 0.00000 0.00000 0.00000 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 73 2S 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00000 0.00000 0.00000 0.00000 0.00000 75 4S 0.00001 0.00000 0.00000 0.00000 -0.00007 76 5S 0.00002 0.00000 0.00002 0.00010 -0.00072 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 83 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 8PY 0.00000 0.00002 -0.00001 -0.00004 0.00007 85 8PZ 0.00001 0.00000 -0.00001 -0.00004 0.00007 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00001 0.00000 0.00000 0.00000 -0.00007 95 5S 0.00002 0.00000 0.00002 0.00010 -0.00072 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00002 -0.00001 -0.00004 0.00007 103 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 8PZ 0.00001 0.00000 -0.00001 -0.00004 0.00007 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 -0.00004 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00034 0.00000 0.00000 0.00000 112 3S 0.00000 0.00153 0.00000 0.00000 0.00000 113 4S 0.00000 0.00133 0.00000 0.00000 0.00000 114 5S 0.00000 0.00008 0.00000 0.00000 0.00000 115 6PX 0.00190 0.00012 0.00000 0.00000 0.00000 116 6PY 0.00190 0.00012 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00347 0.00000 0.00000 0.00000 118 7PX 0.00328 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00328 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00329 0.00000 0.00000 0.00000 121 8PX 0.00108 0.00007 0.00000 0.00000 0.00000 122 8PY 0.00108 0.00007 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00041 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00015 0.00000 0.00000 0.00000 125 9D+1 0.00011 0.00006 0.00000 0.00000 0.00000 126 9D-1 0.00011 0.00006 0.00000 0.00000 0.00000 127 9D+2 0.00030 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00047 169 3S 0.00000 0.00000 -0.00001 -0.00016 0.00319 170 4S 0.00000 0.00000 -0.00023 -0.00108 0.00001 171 5S 0.00000 0.00000 0.00106 0.00670 -0.03451 172 6PX 0.00000 0.00000 -0.00002 -0.00042 0.00732 173 6PY 0.00000 0.00000 -0.00002 -0.00042 0.00732 174 6PZ 0.00000 0.00000 -0.00002 -0.00042 0.00732 175 7PX 0.00000 0.00000 -0.00049 -0.00323 0.01563 176 7PY 0.00000 0.00000 -0.00049 -0.00323 0.01563 177 7PZ 0.00000 0.00000 -0.00049 -0.00323 0.01563 178 8PX 0.00000 0.00000 -0.00006 -0.00056 0.00512 179 8PY 0.00000 0.00000 -0.00006 -0.00056 0.00512 180 8PZ 0.00000 0.00000 -0.00006 -0.00056 0.00512 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 -0.00003 -0.00023 0.00081 183 9D-1 0.00000 0.00000 -0.00003 -0.00023 0.00081 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 -0.00003 -0.00023 0.00081 56 57 58 59 60 56 4S 0.42574 57 5S 0.10848 0.05455 58 6PX 0.00000 0.00000 0.18738 59 6PY 0.00000 0.00000 0.00000 0.18738 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.18738 61 7PX 0.00000 0.00000 0.07467 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.07467 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.07467 64 8PX 0.00000 0.00000 0.00501 0.00000 0.00000 65 8PY 0.00000 0.00000 0.00000 0.00501 0.00000 66 8PZ 0.00000 0.00000 0.00000 0.00000 0.00501 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 73 2S 0.00000 0.00010 0.00000 0.00000 0.00000 74 3S -0.00007 -0.00072 0.00000 0.00000 0.00000 75 4S -0.00059 -0.00282 0.00000 0.00000 0.00000 76 5S -0.00282 -0.00342 0.00000 -0.00014 -0.00014 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 -0.00014 0.00000 0.00000 0.00000 79 6PZ 0.00000 -0.00014 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00010 -0.00024 0.00000 0.00001 0.00003 82 7PZ 0.00010 -0.00024 0.00000 0.00003 0.00001 83 8PX 0.00000 0.00000 0.00007 0.00000 0.00000 84 8PY 0.00090 0.00176 0.00000 -0.00003 0.00019 85 8PZ 0.00090 0.00176 0.00000 0.00019 -0.00003 86 9D 0 0.00000 0.00001 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00002 0.00004 0.00000 0.00000 0.00000 89 9D+2 0.00001 0.00002 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 92 2S 0.00000 0.00010 0.00000 0.00000 0.00000 93 3S -0.00007 -0.00072 0.00000 0.00000 0.00000 94 4S -0.00059 -0.00282 0.00000 0.00000 0.00000 95 5S -0.00282 -0.00342 -0.00014 0.00000 -0.00014 96 6PX 0.00000 -0.00014 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 -0.00014 0.00000 0.00000 0.00000 99 7PX 0.00010 -0.00024 0.00001 0.00000 0.00003 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00010 -0.00024 0.00003 0.00000 0.00001 102 8PX 0.00090 0.00176 -0.00003 0.00000 0.00019 103 8PY 0.00000 0.00000 0.00000 0.00007 0.00000 104 8PZ 0.00090 0.00176 0.00019 0.00000 -0.00003 105 9D 0 0.00000 0.00001 0.00000 0.00000 0.00000 106 9D+1 0.00002 0.00004 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00001 0.00002 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00000 0.00000 0.00000 113 4S 0.00000 0.00003 0.00000 0.00000 0.00000 114 5S 0.00003 0.00020 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00001 0.00000 0.00000 0.00000 118 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000 119 7PY 0.00000 -0.00002 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00003 0.00000 0.00000 0.00000 121 8PX -0.00004 -0.00018 0.00000 -0.00001 0.00000 122 8PY -0.00004 -0.00018 -0.00001 0.00000 0.00000 123 8PZ 0.00004 0.00018 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00001 0.00000 0.00000 0.00000 132 4S 0.00000 0.00003 0.00000 0.00000 0.00000 133 5S 0.00003 0.00020 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00001 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00003 0.00000 0.00000 0.00000 138 7PY 0.00000 -0.00002 0.00000 0.00000 0.00000 139 7PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 140 8PX 0.00004 0.00018 0.00000 0.00000 0.00000 141 8PY -0.00004 -0.00018 0.00000 0.00000 -0.00001 142 8PZ -0.00004 -0.00018 0.00000 -0.00001 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00001 0.00000 0.00000 0.00000 151 4S 0.00000 0.00003 0.00000 0.00000 0.00000 152 5S 0.00003 0.00020 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00001 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00003 0.00000 0.00000 0.00000 158 7PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 159 8PX -0.00004 -0.00018 0.00000 0.00000 -0.00001 160 8PY 0.00004 0.00018 0.00000 0.00000 0.00000 161 8PZ -0.00004 -0.00018 -0.00001 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00019 -0.00008 -0.00008 -0.00008 -0.00008 168 2S 0.00176 -0.00026 -0.00073 -0.00073 -0.00073 169 3S -0.01384 -0.00257 0.00577 0.00577 0.00577 170 4S -0.03641 -0.00397 0.00770 0.00770 0.00770 171 5S -0.07492 -0.01954 0.00102 0.00102 0.00102 172 6PX 0.00269 -0.00056 -0.00149 0.01201 0.01201 173 6PY 0.00269 -0.00056 0.01201 -0.00149 0.01201 174 6PZ 0.00269 -0.00056 0.01201 0.01201 -0.00149 175 7PX 0.00519 -0.00167 -0.00025 0.02068 0.02068 176 7PY 0.00519 -0.00167 0.02068 -0.00025 0.02068 177 7PZ 0.00519 -0.00167 0.02068 0.02068 -0.00025 178 8PX 0.00020 -0.00251 0.00277 0.00478 0.00478 179 8PY 0.00020 -0.00251 0.00478 0.00277 0.00478 180 8PZ 0.00020 -0.00251 0.00478 0.00478 0.00277 181 9D 0 0.00000 0.00000 0.00026 0.00026 0.00104 182 9D+1 0.00015 -0.00001 0.00017 0.00172 0.00017 183 9D-1 0.00015 -0.00001 0.00172 0.00017 0.00017 184 9D+2 0.00000 0.00000 0.00078 0.00078 0.00000 185 9D-2 0.00015 -0.00001 0.00017 0.00017 0.00172 61 62 63 64 65 61 7PX 0.08270 62 7PY 0.00000 0.08270 63 7PZ 0.00000 0.00000 0.08270 64 8PX 0.01385 0.00000 0.00000 0.01890 65 8PY 0.00000 0.01385 0.00000 0.00000 0.01890 66 8PZ 0.00000 0.00000 0.01385 0.00000 0.00000 67 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 68 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 73 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 74 3S 0.00000 0.00000 0.00000 0.00000 0.00007 75 4S 0.00000 0.00010 0.00010 0.00000 0.00090 76 5S 0.00000 -0.00024 -0.00024 0.00000 0.00176 77 6PX 0.00000 0.00000 0.00000 0.00007 0.00000 78 6PY 0.00000 0.00001 0.00003 0.00000 -0.00003 79 6PZ 0.00000 0.00003 0.00001 0.00000 0.00019 80 7PX -0.00003 0.00000 0.00000 0.00035 0.00000 81 7PY 0.00000 0.00013 0.00034 0.00000 -0.00013 82 7PZ 0.00000 0.00034 0.00013 0.00000 0.00056 83 8PX 0.00035 0.00000 0.00000 0.00240 0.00000 84 8PY 0.00000 -0.00013 0.00056 0.00000 -0.00081 85 8PZ 0.00000 0.00056 -0.00013 0.00000 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 87 9D+1 0.00000 0.00000 0.00000 0.00002 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00002 89 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00002 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00004 0.00000 93 3S 0.00000 0.00000 0.00000 0.00007 0.00000 94 4S 0.00010 0.00000 0.00010 0.00090 0.00000 95 5S -0.00024 0.00000 -0.00024 0.00176 0.00000 96 6PX 0.00001 0.00000 0.00003 -0.00003 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00007 98 6PZ 0.00003 0.00000 0.00001 0.00019 0.00000 99 7PX 0.00013 0.00000 0.00034 -0.00013 0.00000 100 7PY 0.00000 -0.00003 0.00000 0.00000 0.00035 101 7PZ 0.00034 0.00000 0.00013 0.00056 0.00000 102 8PX -0.00013 0.00000 0.00056 -0.00081 0.00000 103 8PY 0.00000 0.00035 0.00000 0.00000 0.00240 104 8PZ 0.00056 0.00000 -0.00013 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000 106 9D+1 0.00000 0.00000 0.00000 -0.00002 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 108 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 -0.00001 -0.00024 -0.00024 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00002 116 6PY 0.00000 0.00000 0.00000 -0.00002 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 -0.00001 -0.00009 119 7PY 0.00000 0.00000 0.00000 -0.00009 -0.00001 120 7PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 121 8PX 0.00000 -0.00005 -0.00001 0.00007 -0.00038 122 8PY -0.00005 0.00000 -0.00001 -0.00038 0.00007 123 8PZ 0.00001 0.00001 0.00000 -0.00003 -0.00003 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00001 0.00000 0.00000 -0.00009 -0.00024 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 137 7PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 138 7PY 0.00000 0.00000 0.00000 -0.00002 -0.00001 139 7PZ 0.00000 0.00000 0.00000 -0.00002 -0.00009 140 8PX 0.00000 0.00001 0.00001 -0.00018 -0.00003 141 8PY -0.00001 0.00000 -0.00005 -0.00013 0.00007 142 8PZ -0.00001 -0.00005 0.00000 -0.00013 -0.00038 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 0.00000 -0.00024 -0.00009 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 156 7PX 0.00000 0.00000 0.00000 -0.00001 -0.00002 157 7PY 0.00000 0.00000 0.00000 -0.00001 -0.00002 158 7PZ 0.00000 0.00000 0.00000 -0.00009 -0.00002 159 8PX 0.00000 -0.00001 -0.00005 0.00007 -0.00013 160 8PY 0.00001 0.00000 0.00001 -0.00003 -0.00018 161 8PZ -0.00005 -0.00001 0.00000 -0.00038 -0.00013 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 168 2S -0.00037 -0.00037 -0.00037 -0.00029 -0.00029 169 3S 0.00282 0.00282 0.00282 0.00036 0.00036 170 4S 0.00165 0.00165 0.00165 0.00203 0.00203 171 5S 0.00060 0.00060 0.00060 0.00086 0.00086 172 6PX 0.00162 0.00775 0.00775 0.00206 -0.00007 173 6PY 0.00775 0.00162 0.00775 -0.00007 0.00206 174 6PZ 0.00775 0.00775 0.00162 -0.00007 -0.00007 175 7PX 0.00802 0.01438 0.01438 0.00632 -0.00007 176 7PY 0.01438 0.00802 0.01438 -0.00007 0.00632 177 7PZ 0.01438 0.01438 0.00802 -0.00007 -0.00007 178 8PX 0.00805 0.00561 0.00561 0.00371 -0.00046 179 8PY 0.00561 0.00805 0.00561 -0.00046 0.00371 180 8PZ 0.00561 0.00561 0.00805 -0.00046 -0.00046 181 9D 0 0.00021 0.00021 0.00085 0.00002 0.00002 182 9D+1 -0.00001 0.00047 -0.00001 0.00003 0.00000 183 9D-1 0.00047 -0.00001 -0.00001 0.00000 0.00003 184 9D+2 0.00064 0.00064 0.00000 0.00006 0.00006 185 9D-2 -0.00001 -0.00001 0.00047 0.00003 0.00003 66 67 68 69 70 66 8PZ 0.01890 67 9D 0 0.00000 0.00253 68 9D+1 0.00000 0.00000 0.00191 69 9D-1 0.00000 0.00000 0.00000 0.00191 70 9D+2 0.00000 0.00000 0.00000 0.00000 0.00253 71 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 72 4 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 73 2S -0.00004 0.00000 0.00000 0.00000 0.00000 74 3S 0.00007 0.00000 0.00000 0.00000 0.00000 75 4S 0.00090 0.00000 0.00000 0.00002 0.00001 76 5S 0.00176 0.00001 0.00000 0.00004 0.00002 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00019 0.00000 0.00000 0.00000 0.00000 79 6PZ -0.00003 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00056 0.00000 0.00000 0.00000 0.00000 82 7PZ -0.00013 0.00000 0.00000 0.00000 0.00001 83 8PX 0.00000 0.00000 0.00002 0.00000 0.00000 84 8PY 0.00000 0.00001 0.00000 -0.00002 0.00000 85 8PZ -0.00081 0.00000 0.00000 -0.00002 0.00001 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 -0.00002 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 92 2S -0.00004 0.00000 0.00000 0.00000 0.00000 93 3S 0.00007 0.00000 0.00000 0.00000 0.00000 94 4S 0.00090 0.00000 0.00002 0.00000 0.00001 95 5S 0.00176 0.00001 0.00004 0.00000 0.00002 96 6PX 0.00019 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ -0.00003 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00056 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ -0.00013 0.00000 0.00000 0.00000 0.00001 102 8PX 0.00000 0.00001 -0.00002 0.00000 0.00000 103 8PY 0.00000 0.00000 0.00000 0.00002 0.00000 104 8PZ -0.00081 0.00000 -0.00002 0.00000 0.00001 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 -0.00002 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S -0.00009 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00002 0.00000 0.00000 0.00000 0.00000 119 7PY -0.00002 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00002 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00013 0.00000 0.00000 0.00000 0.00000 122 8PY -0.00013 0.00000 0.00000 0.00000 0.00000 123 8PZ -0.00018 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S -0.00001 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00024 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY -0.00002 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX -0.00001 0.00000 0.00000 0.00000 0.00000 138 7PY -0.00009 0.00000 0.00000 0.00000 0.00000 139 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 140 8PX -0.00003 0.00000 0.00000 0.00000 0.00000 141 8PY -0.00038 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00007 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S -0.00001 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S -0.00024 0.00000 0.00000 0.00000 0.00000 153 6PX -0.00002 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00009 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 158 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00038 0.00000 0.00000 0.00000 0.00000 160 8PY -0.00003 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00007 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00005 0.00000 -0.00004 -0.00004 0.00000 168 2S -0.00029 0.00000 -0.00034 -0.00034 0.00000 169 3S 0.00036 0.00000 0.00153 0.00153 0.00000 170 4S 0.00203 0.00000 0.00133 0.00133 0.00000 171 5S 0.00086 0.00000 0.00008 0.00008 0.00000 172 6PX -0.00007 0.00063 0.00012 0.00347 0.00190 173 6PY -0.00007 0.00063 0.00347 0.00012 0.00190 174 6PZ 0.00206 0.00253 0.00012 0.00012 0.00000 175 7PX -0.00007 0.00109 0.00000 0.00329 0.00328 176 7PY -0.00007 0.00109 0.00329 0.00000 0.00328 177 7PZ 0.00632 0.00437 0.00000 0.00000 0.00000 178 8PX -0.00046 0.00036 0.00007 0.00041 0.00108 179 8PY -0.00046 0.00036 0.00041 0.00007 0.00108 180 8PZ 0.00371 0.00143 0.00007 0.00007 0.00000 181 9D 0 0.00008 0.00030 0.00004 0.00004 0.00000 182 9D+1 0.00003 0.00004 0.00000 0.00006 0.00011 183 9D-1 0.00003 0.00004 0.00006 0.00000 0.00011 184 9D+2 0.00000 0.00000 0.00011 0.00011 0.00030 185 9D-2 0.00000 0.00015 0.00006 0.00006 0.00000 71 72 73 74 75 71 9D-2 0.00191 72 4 C 1S 0.00000 0.45853 73 2S 0.00000 0.42321 0.84594 74 3S 0.00000 -0.00874 -0.06784 0.29416 75 4S 0.00000 -0.01132 -0.06886 0.27442 0.42574 76 5S 0.00000 -0.00065 -0.00600 0.04799 0.10848 77 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 81 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 82 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 8PX 0.00002 0.00000 0.00000 0.00000 0.00000 84 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 -0.00007 94 4S 0.00000 0.00000 0.00000 -0.00007 -0.00059 95 5S 0.00000 0.00002 0.00010 -0.00072 -0.00282 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00010 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00010 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 -0.00001 -0.00004 0.00007 0.00090 103 8PY 0.00002 -0.00001 -0.00004 0.00007 0.00090 104 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00003 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 -0.00004 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00004 123 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 -0.00005 0.00019 130 2S 0.00000 0.00000 0.00000 -0.00047 0.00176 131 3S 0.00000 -0.00001 -0.00016 0.00319 -0.01384 132 4S 0.00000 -0.00023 -0.00108 0.00001 -0.03641 133 5S 0.00000 0.00106 0.00670 -0.03451 -0.07492 134 6PX 0.00000 -0.00002 -0.00042 0.00732 0.00269 135 6PY 0.00000 -0.00002 -0.00042 0.00732 0.00269 136 6PZ 0.00000 -0.00002 -0.00042 0.00732 0.00269 137 7PX 0.00000 -0.00049 -0.00323 0.01563 0.00519 138 7PY 0.00000 -0.00049 -0.00323 0.01563 0.00519 139 7PZ 0.00000 -0.00049 -0.00323 0.01563 0.00519 140 8PX 0.00000 -0.00006 -0.00056 0.00512 0.00020 141 8PY 0.00000 -0.00006 -0.00056 0.00512 0.00020 142 8PZ 0.00000 -0.00006 -0.00056 0.00512 0.00020 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 -0.00003 -0.00023 0.00081 0.00015 145 9D-1 0.00000 -0.00003 -0.00023 0.00081 0.00015 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 -0.00003 -0.00023 0.00081 0.00015 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00003 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 -0.00004 160 8PY 0.00000 0.00000 0.00000 0.00000 -0.00004 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00004 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S -0.00004 0.00000 0.00000 0.00000 0.00000 168 2S -0.00034 0.00000 0.00000 0.00000 0.00000 169 3S 0.00153 0.00000 0.00000 0.00000 0.00000 170 4S 0.00133 0.00000 0.00000 0.00000 0.00000 171 5S 0.00008 0.00000 0.00000 0.00000 0.00003 172 6PX 0.00012 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00012 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00347 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00329 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00007 0.00000 0.00000 0.00000 0.00004 179 8PY 0.00007 0.00000 0.00000 0.00000 -0.00004 180 8PZ 0.00041 0.00000 0.00000 0.00000 -0.00004 181 9D 0 0.00015 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00006 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00006 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 5S 0.05455 77 6PX 0.00000 0.18738 78 6PY 0.00000 0.00000 0.18738 79 6PZ 0.00000 0.00000 0.00000 0.18738 80 7PX 0.00000 0.07467 0.00000 0.00000 0.08270 81 7PY 0.00000 0.00000 0.07467 0.00000 0.00000 82 7PZ 0.00000 0.00000 0.00000 0.07467 0.00000 83 8PX 0.00000 0.00501 0.00000 0.00000 0.01385 84 8PY 0.00000 0.00000 0.00501 0.00000 0.00000 85 8PZ 0.00000 0.00000 0.00000 0.00501 0.00000 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 92 2S 0.00010 0.00000 0.00000 0.00000 0.00000 93 3S -0.00072 0.00000 0.00000 0.00000 0.00000 94 4S -0.00282 0.00000 0.00000 0.00000 0.00010 95 5S -0.00342 -0.00014 -0.00014 0.00000 -0.00024 96 6PX -0.00014 0.00000 0.00000 0.00000 0.00001 97 6PY -0.00014 0.00000 0.00000 0.00000 0.00003 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX -0.00024 0.00001 0.00003 0.00000 0.00013 100 7PY -0.00024 0.00003 0.00001 0.00000 0.00034 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00176 -0.00003 0.00019 0.00000 -0.00013 103 8PY 0.00176 0.00019 -0.00003 0.00000 0.00056 104 8PZ 0.00000 0.00000 0.00000 0.00007 0.00000 105 9D 0 0.00003 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00004 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00000 0.00000 0.00000 0.00000 113 4S 0.00003 0.00000 0.00000 0.00000 0.00000 114 5S 0.00020 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00001 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX -0.00002 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00003 0.00000 0.00000 0.00000 0.00000 120 7PZ -0.00002 0.00000 0.00000 0.00000 0.00000 121 8PX -0.00018 0.00000 0.00000 -0.00001 0.00000 122 8PY 0.00018 0.00000 0.00000 0.00000 0.00001 123 8PZ -0.00018 -0.00001 0.00000 0.00000 -0.00005 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S -0.00008 -0.00008 -0.00008 -0.00008 -0.00004 130 2S -0.00026 -0.00073 -0.00073 -0.00073 -0.00037 131 3S -0.00257 0.00577 0.00577 0.00577 0.00282 132 4S -0.00397 0.00770 0.00770 0.00770 0.00165 133 5S -0.01954 0.00102 0.00102 0.00102 0.00060 134 6PX -0.00056 -0.00149 0.01201 0.01201 0.00162 135 6PY -0.00056 0.01201 -0.00149 0.01201 0.00775 136 6PZ -0.00056 0.01201 0.01201 -0.00149 0.00775 137 7PX -0.00167 -0.00025 0.02068 0.02068 0.00802 138 7PY -0.00167 0.02068 -0.00025 0.02068 0.01438 139 7PZ -0.00167 0.02068 0.02068 -0.00025 0.01438 140 8PX -0.00251 0.00277 0.00478 0.00478 0.00805 141 8PY -0.00251 0.00478 0.00277 0.00478 0.00561 142 8PZ -0.00251 0.00478 0.00478 0.00277 0.00561 143 9D 0 0.00000 0.00026 0.00026 0.00104 0.00021 144 9D+1 -0.00001 0.00017 0.00172 0.00017 -0.00001 145 9D-1 -0.00001 0.00172 0.00017 0.00017 0.00047 146 9D+2 0.00000 0.00078 0.00078 0.00000 0.00064 147 9D-2 -0.00001 0.00017 0.00017 0.00172 -0.00001 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00001 0.00000 0.00000 0.00000 0.00000 151 4S 0.00003 0.00000 0.00000 0.00000 0.00000 152 5S 0.00020 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00001 0.00000 0.00000 0.00000 0.00000 156 7PX -0.00002 0.00000 0.00000 0.00000 0.00000 157 7PY -0.00002 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00003 0.00000 0.00000 0.00000 0.00000 159 8PX -0.00018 0.00000 -0.00001 0.00000 0.00000 160 8PY -0.00018 -0.00001 0.00000 0.00000 -0.00005 161 8PZ 0.00018 0.00000 0.00000 0.00000 0.00001 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00001 0.00000 0.00000 0.00000 0.00000 170 4S 0.00003 0.00000 0.00000 0.00000 0.00000 171 5S 0.00020 0.00000 0.00000 0.00000 -0.00001 172 6PX 0.00001 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00003 0.00000 0.00000 0.00000 0.00000 176 7PY -0.00002 0.00000 0.00000 0.00000 0.00000 177 7PZ -0.00002 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00018 0.00000 0.00000 0.00000 0.00000 179 8PY -0.00018 0.00000 0.00000 -0.00001 -0.00001 180 8PZ -0.00018 0.00000 -0.00001 0.00000 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 7PY 0.08270 82 7PZ 0.00000 0.08270 83 8PX 0.00000 0.00000 0.01890 84 8PY 0.01385 0.00000 0.00000 0.01890 85 8PZ 0.00000 0.01385 0.00000 0.00000 0.01890 86 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 5 C 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 92 2S 0.00000 0.00000 -0.00004 -0.00004 0.00000 93 3S 0.00000 0.00000 0.00007 0.00007 0.00000 94 4S 0.00010 0.00000 0.00090 0.00090 0.00000 95 5S -0.00024 0.00000 0.00176 0.00176 0.00000 96 6PX 0.00003 0.00000 -0.00003 0.00019 0.00000 97 6PY 0.00001 0.00000 0.00019 -0.00003 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00007 99 7PX 0.00034 0.00000 -0.00013 0.00056 0.00000 100 7PY 0.00013 0.00000 0.00056 -0.00013 0.00000 101 7PZ 0.00000 -0.00003 0.00000 0.00000 0.00035 102 8PX 0.00056 0.00000 -0.00081 0.00000 0.00000 103 8PY -0.00013 0.00000 0.00000 -0.00081 0.00000 104 8PZ 0.00000 0.00035 0.00000 0.00000 0.00240 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002 108 9D+2 0.00000 0.00000 0.00001 0.00001 0.00000 109 9D-2 0.00000 0.00000 -0.00002 -0.00002 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 0.00000 -0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S -0.00001 0.00000 -0.00024 -0.00009 -0.00024 115 6PX 0.00000 0.00000 0.00000 0.00000 -0.00002 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 118 7PX 0.00000 0.00000 -0.00001 -0.00002 -0.00009 119 7PY 0.00000 0.00000 -0.00001 -0.00002 -0.00001 120 7PZ 0.00000 0.00000 -0.00009 -0.00002 -0.00001 121 8PX -0.00001 -0.00005 0.00007 -0.00013 -0.00038 122 8PY 0.00000 0.00001 -0.00003 -0.00018 -0.00003 123 8PZ -0.00001 0.00000 -0.00038 -0.00013 0.00007 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 130 2S -0.00037 -0.00037 -0.00029 -0.00029 -0.00029 131 3S 0.00282 0.00282 0.00036 0.00036 0.00036 132 4S 0.00165 0.00165 0.00203 0.00203 0.00203 133 5S 0.00060 0.00060 0.00086 0.00086 0.00086 134 6PX 0.00775 0.00775 0.00206 -0.00007 -0.00007 135 6PY 0.00162 0.00775 -0.00007 0.00206 -0.00007 136 6PZ 0.00775 0.00162 -0.00007 -0.00007 0.00206 137 7PX 0.01438 0.01438 0.00632 -0.00007 -0.00007 138 7PY 0.00802 0.01438 -0.00007 0.00632 -0.00007 139 7PZ 0.01438 0.00802 -0.00007 -0.00007 0.00632 140 8PX 0.00561 0.00561 0.00371 -0.00046 -0.00046 141 8PY 0.00805 0.00561 -0.00046 0.00371 -0.00046 142 8PZ 0.00561 0.00805 -0.00046 -0.00046 0.00371 143 9D 0 0.00021 0.00085 0.00002 0.00002 0.00008 144 9D+1 0.00047 -0.00001 0.00003 0.00000 0.00003 145 9D-1 -0.00001 -0.00001 0.00000 0.00003 0.00003 146 9D+2 0.00064 0.00000 0.00006 0.00006 0.00000 147 9D-2 -0.00001 0.00047 0.00003 0.00003 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 -0.00001 -0.00024 -0.00024 -0.00009 153 6PX 0.00000 0.00000 0.00000 -0.00002 0.00000 154 6PY 0.00000 0.00000 -0.00002 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 -0.00001 -0.00009 -0.00002 157 7PY 0.00000 0.00000 -0.00009 -0.00001 -0.00002 158 7PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00002 159 8PX -0.00005 -0.00001 0.00007 -0.00038 -0.00013 160 8PY 0.00000 -0.00001 -0.00038 0.00007 -0.00013 161 8PZ 0.00001 0.00000 -0.00003 -0.00003 -0.00018 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 -0.00009 -0.00024 -0.00024 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 -0.00002 174 6PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 175 7PX 0.00000 0.00000 -0.00002 -0.00001 -0.00001 176 7PY 0.00000 0.00000 -0.00002 -0.00001 -0.00009 177 7PZ 0.00000 0.00000 -0.00002 -0.00009 -0.00001 178 8PX 0.00001 0.00001 -0.00018 -0.00003 -0.00003 179 8PY 0.00000 -0.00005 -0.00013 0.00007 -0.00038 180 8PZ -0.00005 0.00000 -0.00013 -0.00038 0.00007 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 9D 0 0.00253 87 9D+1 0.00000 0.00191 88 9D-1 0.00000 0.00000 0.00191 89 9D+2 0.00000 0.00000 0.00000 0.00253 90 9D-2 0.00000 0.00000 0.00000 0.00000 0.00191 91 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00000 0.00000 0.00000 0.00000 94 4S 0.00001 0.00000 0.00000 0.00000 0.00002 95 5S 0.00003 0.00000 0.00000 0.00000 0.00004 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00001 -0.00002 103 8PY 0.00000 0.00000 0.00000 0.00001 -0.00002 104 8PZ 0.00000 0.00002 0.00002 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 0.00000 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 -0.00004 -0.00004 0.00000 -0.00004 130 2S 0.00000 -0.00034 -0.00034 0.00000 -0.00034 131 3S 0.00000 0.00153 0.00153 0.00000 0.00153 132 4S 0.00000 0.00133 0.00133 0.00000 0.00133 133 5S 0.00000 0.00008 0.00008 0.00000 0.00008 134 6PX 0.00063 0.00012 0.00347 0.00190 0.00012 135 6PY 0.00063 0.00347 0.00012 0.00190 0.00012 136 6PZ 0.00253 0.00012 0.00012 0.00000 0.00347 137 7PX 0.00109 0.00000 0.00329 0.00328 0.00000 138 7PY 0.00109 0.00329 0.00000 0.00328 0.00000 139 7PZ 0.00437 0.00000 0.00000 0.00000 0.00329 140 8PX 0.00036 0.00007 0.00041 0.00108 0.00007 141 8PY 0.00036 0.00041 0.00007 0.00108 0.00007 142 8PZ 0.00143 0.00007 0.00007 0.00000 0.00041 143 9D 0 0.00030 0.00004 0.00004 0.00000 0.00015 144 9D+1 0.00004 0.00000 0.00006 0.00011 0.00006 145 9D-1 0.00004 0.00006 0.00000 0.00011 0.00006 146 9D+2 0.00000 0.00011 0.00011 0.00030 0.00000 147 9D-2 0.00015 0.00006 0.00006 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 5 C 1S 0.45853 92 2S 0.42321 0.84594 93 3S -0.00874 -0.06784 0.29416 94 4S -0.01132 -0.06886 0.27442 0.42574 95 5S -0.00065 -0.00600 0.04799 0.10848 0.05455 96 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 98 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 100 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 101 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00001 113 4S 0.00000 0.00000 0.00000 0.00000 0.00003 114 5S 0.00000 0.00000 0.00000 0.00003 0.00020 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00003 119 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002 120 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 121 8PX 0.00000 0.00000 0.00000 0.00004 0.00018 122 8PY 0.00000 0.00000 0.00000 -0.00004 -0.00018 123 8PZ 0.00000 0.00000 0.00000 -0.00004 -0.00018 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00001 132 4S 0.00000 0.00000 0.00000 0.00000 0.00003 133 5S 0.00000 0.00000 0.00000 0.00003 0.00020 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001 137 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002 138 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00003 140 8PX 0.00000 0.00000 0.00000 -0.00004 -0.00018 141 8PY 0.00000 0.00000 0.00000 -0.00004 -0.00018 142 8PZ 0.00000 0.00000 0.00000 0.00004 0.00018 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 -0.00005 0.00019 -0.00008 149 2S 0.00000 0.00000 -0.00047 0.00176 -0.00026 150 3S -0.00001 -0.00016 0.00319 -0.01384 -0.00257 151 4S -0.00023 -0.00108 0.00001 -0.03641 -0.00397 152 5S 0.00106 0.00670 -0.03451 -0.07492 -0.01954 153 6PX -0.00002 -0.00042 0.00732 0.00269 -0.00056 154 6PY -0.00002 -0.00042 0.00732 0.00269 -0.00056 155 6PZ -0.00002 -0.00042 0.00732 0.00269 -0.00056 156 7PX -0.00049 -0.00323 0.01563 0.00519 -0.00167 157 7PY -0.00049 -0.00323 0.01563 0.00519 -0.00167 158 7PZ -0.00049 -0.00323 0.01563 0.00519 -0.00167 159 8PX -0.00006 -0.00056 0.00512 0.00020 -0.00251 160 8PY -0.00006 -0.00056 0.00512 0.00020 -0.00251 161 8PZ -0.00006 -0.00056 0.00512 0.00020 -0.00251 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 -0.00003 -0.00023 0.00081 0.00015 -0.00001 164 9D-1 -0.00003 -0.00023 0.00081 0.00015 -0.00001 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 -0.00003 -0.00023 0.00081 0.00015 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00001 170 4S 0.00000 0.00000 0.00000 0.00000 0.00003 171 5S 0.00000 0.00000 0.00000 0.00003 0.00020 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00001 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00003 177 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 178 8PX 0.00000 0.00000 0.00000 -0.00004 -0.00018 179 8PY 0.00000 0.00000 0.00000 0.00004 0.00018 180 8PZ 0.00000 0.00000 0.00000 -0.00004 -0.00018 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 6PX 0.18738 97 6PY 0.00000 0.18738 98 6PZ 0.00000 0.00000 0.18738 99 7PX 0.07467 0.00000 0.00000 0.08270 100 7PY 0.00000 0.07467 0.00000 0.00000 0.08270 101 7PZ 0.00000 0.00000 0.07467 0.00000 0.00000 102 8PX 0.00501 0.00000 0.00000 0.01385 0.00000 103 8PY 0.00000 0.00501 0.00000 0.00000 0.01385 104 8PZ 0.00000 0.00000 0.00501 0.00000 0.00000 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 0.00000 0.00000 -0.00001 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 122 8PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 123 8PZ 0.00000 -0.00001 0.00000 -0.00001 -0.00005 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 -0.00001 0.00000 0.00000 -0.00005 141 8PY -0.00001 0.00000 0.00000 -0.00005 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00001 0.00001 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00008 -0.00008 -0.00008 -0.00004 -0.00004 149 2S -0.00073 -0.00073 -0.00073 -0.00037 -0.00037 150 3S 0.00577 0.00577 0.00577 0.00282 0.00282 151 4S 0.00770 0.00770 0.00770 0.00165 0.00165 152 5S 0.00102 0.00102 0.00102 0.00060 0.00060 153 6PX -0.00149 0.01201 0.01201 0.00162 0.00775 154 6PY 0.01201 -0.00149 0.01201 0.00775 0.00162 155 6PZ 0.01201 0.01201 -0.00149 0.00775 0.00775 156 7PX -0.00025 0.02068 0.02068 0.00802 0.01438 157 7PY 0.02068 -0.00025 0.02068 0.01438 0.00802 158 7PZ 0.02068 0.02068 -0.00025 0.01438 0.01438 159 8PX 0.00277 0.00478 0.00478 0.00805 0.00561 160 8PY 0.00478 0.00277 0.00478 0.00561 0.00805 161 8PZ 0.00478 0.00478 0.00277 0.00561 0.00561 162 9D 0 0.00026 0.00026 0.00104 0.00021 0.00021 163 9D+1 0.00017 0.00172 0.00017 -0.00001 0.00047 164 9D-1 0.00172 0.00017 0.00017 0.00047 -0.00001 165 9D+2 0.00078 0.00078 0.00000 0.00064 0.00064 166 9D-2 0.00017 0.00017 0.00172 -0.00001 -0.00001 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 -0.00001 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 179 8PY 0.00000 0.00000 0.00000 0.00001 0.00000 180 8PZ -0.00001 0.00000 0.00000 -0.00005 -0.00001 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 7PZ 0.08270 102 8PX 0.00000 0.01890 103 8PY 0.00000 0.00000 0.01890 104 8PZ 0.01385 0.00000 0.00000 0.01890 105 9D 0 0.00000 0.00000 0.00000 0.00000 0.00253 106 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 107 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 108 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 109 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 113 4S 0.00000 0.00000 0.00000 0.00000 0.00000 114 5S 0.00000 -0.00009 -0.00024 -0.00024 0.00000 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 -0.00002 0.00000 117 6PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 118 7PX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 119 7PY 0.00000 -0.00002 -0.00001 -0.00009 0.00000 120 7PZ 0.00000 -0.00002 -0.00009 -0.00001 0.00000 121 8PX 0.00001 -0.00018 -0.00003 -0.00003 0.00000 122 8PY -0.00005 -0.00013 0.00007 -0.00038 0.00000 123 8PZ 0.00000 -0.00013 -0.00038 0.00007 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S -0.00001 -0.00024 -0.00024 -0.00009 0.00000 134 6PX 0.00000 0.00000 -0.00002 0.00000 0.00000 135 6PY 0.00000 -0.00002 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 -0.00001 -0.00009 -0.00002 0.00000 138 7PY 0.00000 -0.00009 -0.00001 -0.00002 0.00000 139 7PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 140 8PX -0.00001 0.00007 -0.00038 -0.00013 0.00000 141 8PY -0.00001 -0.00038 0.00007 -0.00013 0.00000 142 8PZ 0.00000 -0.00003 -0.00003 -0.00018 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00004 -0.00005 -0.00005 -0.00005 0.00000 149 2S -0.00037 -0.00029 -0.00029 -0.00029 0.00000 150 3S 0.00282 0.00036 0.00036 0.00036 0.00000 151 4S 0.00165 0.00203 0.00203 0.00203 0.00000 152 5S 0.00060 0.00086 0.00086 0.00086 0.00000 153 6PX 0.00775 0.00206 -0.00007 -0.00007 0.00063 154 6PY 0.00775 -0.00007 0.00206 -0.00007 0.00063 155 6PZ 0.00162 -0.00007 -0.00007 0.00206 0.00253 156 7PX 0.01438 0.00632 -0.00007 -0.00007 0.00109 157 7PY 0.01438 -0.00007 0.00632 -0.00007 0.00109 158 7PZ 0.00802 -0.00007 -0.00007 0.00632 0.00437 159 8PX 0.00561 0.00371 -0.00046 -0.00046 0.00036 160 8PY 0.00561 -0.00046 0.00371 -0.00046 0.00036 161 8PZ 0.00805 -0.00046 -0.00046 0.00371 0.00143 162 9D 0 0.00085 0.00002 0.00002 0.00008 0.00030 163 9D+1 -0.00001 0.00003 0.00000 0.00003 0.00004 164 9D-1 -0.00001 0.00000 0.00003 0.00003 0.00004 165 9D+2 0.00000 0.00006 0.00006 0.00000 0.00000 166 9D-2 0.00047 0.00003 0.00003 0.00000 0.00015 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 -0.00001 0.00000 -0.00001 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 -0.00024 -0.00009 -0.00024 0.00000 172 6PX 0.00000 0.00000 0.00000 -0.00002 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 175 7PX 0.00000 -0.00001 -0.00002 -0.00009 0.00000 176 7PY 0.00000 -0.00001 -0.00002 -0.00001 0.00000 177 7PZ 0.00000 -0.00009 -0.00002 -0.00001 0.00000 178 8PX -0.00005 0.00007 -0.00013 -0.00038 0.00000 179 8PY 0.00001 -0.00003 -0.00018 -0.00003 0.00000 180 8PZ 0.00000 -0.00038 -0.00013 0.00007 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 9D+1 0.00191 107 9D-1 0.00000 0.00191 108 9D+2 0.00000 0.00000 0.00253 109 9D-2 0.00000 0.00000 0.00000 0.00191 110 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.40141 111 2S 0.00000 0.00000 0.00000 0.00000 0.41616 112 3S 0.00000 0.00000 0.00000 0.00000 -0.00960 113 4S 0.00000 0.00000 0.00000 0.00000 -0.01262 114 5S 0.00000 0.00000 0.00000 0.00000 -0.00154 115 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S -0.00004 -0.00004 0.00000 -0.00004 0.00000 149 2S -0.00034 -0.00034 0.00000 -0.00034 0.00000 150 3S 0.00153 0.00153 0.00000 0.00153 0.00000 151 4S 0.00133 0.00133 0.00000 0.00133 0.00000 152 5S 0.00008 0.00008 0.00000 0.00008 0.00000 153 6PX 0.00012 0.00347 0.00190 0.00012 0.00000 154 6PY 0.00347 0.00012 0.00190 0.00012 0.00000 155 6PZ 0.00012 0.00012 0.00000 0.00347 0.00000 156 7PX 0.00000 0.00329 0.00328 0.00000 0.00000 157 7PY 0.00329 0.00000 0.00328 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00329 0.00000 159 8PX 0.00007 0.00041 0.00108 0.00007 0.00000 160 8PY 0.00041 0.00007 0.00108 0.00007 0.00000 161 8PZ 0.00007 0.00007 0.00000 0.00041 0.00000 162 9D 0 0.00004 0.00004 0.00000 0.00015 0.00000 163 9D+1 0.00000 0.00006 0.00011 0.00006 0.00000 164 9D-1 0.00006 0.00000 0.00011 0.00006 0.00000 165 9D+2 0.00011 0.00011 0.00030 0.00000 0.00000 166 9D-2 0.00006 0.00006 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 2S 0.94585 112 3S -0.07893 0.28392 113 4S -0.08803 0.31888 0.50688 114 5S -0.01433 0.09425 0.19909 0.14335 115 6PX 0.00000 0.00000 0.00000 0.00000 0.36565 116 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 7PX 0.00000 0.00000 0.00000 0.00000 0.17488 119 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 8PX 0.00000 0.00000 0.00000 0.00000 0.03452 122 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 6PY 0.36565 117 6PZ 0.00000 0.36565 118 7PX 0.00000 0.00000 0.22762 119 7PY 0.17488 0.00000 0.00000 0.22762 120 7PZ 0.00000 0.17488 0.00000 0.00000 0.22762 121 8PX 0.00000 0.00000 0.08186 0.00000 0.00000 122 8PY 0.03452 0.00000 0.00000 0.08186 0.00000 123 8PZ 0.00000 0.03452 0.00000 0.00000 0.08186 124 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 8PX 0.06733 122 8PY 0.00000 0.06733 123 8PZ 0.00000 0.00000 0.06733 124 9D 0 0.00000 0.00000 0.00000 0.00113 125 9D+1 0.00000 0.00000 0.00000 0.00000 0.00093 126 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 127 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 128 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 129 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3S 0.00000 0.00000 0.00000 0.00000 0.00000 132 4S 0.00000 0.00000 0.00000 0.00000 0.00000 133 5S 0.00000 0.00000 0.00000 0.00000 0.00000 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00001 0.00000 0.00003 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00003 0.00000 0.00001 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00001 0.00003 0.00000 0.00000 161 8PZ 0.00000 0.00003 0.00001 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00001 0.00003 0.00000 0.00000 0.00000 179 8PY 0.00003 0.00001 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 9D-1 0.00093 127 9D+2 0.00000 0.00113 128 9D-2 0.00000 0.00000 0.00093 129 7 O 1S 0.00000 0.00000 0.00000 0.40141 130 2S 0.00000 0.00000 0.00000 0.41616 0.94585 131 3S 0.00000 0.00000 0.00000 -0.00960 -0.07893 132 4S 0.00000 0.00000 0.00000 -0.01262 -0.08803 133 5S 0.00000 0.00000 0.00000 -0.00154 -0.01433 134 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 135 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 3S 0.28392 132 4S 0.31888 0.50688 133 5S 0.09425 0.19909 0.14335 134 6PX 0.00000 0.00000 0.00000 0.36565 135 6PY 0.00000 0.00000 0.00000 0.00000 0.36565 136 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7PX 0.00000 0.00000 0.00000 0.17488 0.00000 138 7PY 0.00000 0.00000 0.00000 0.00000 0.17488 139 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 8PX 0.00000 0.00000 0.00000 0.03452 0.00000 141 8PY 0.00000 0.00000 0.00000 0.00000 0.03452 142 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 6PZ 0.36565 137 7PX 0.00000 0.22762 138 7PY 0.00000 0.00000 0.22762 139 7PZ 0.17488 0.00000 0.00000 0.22762 140 8PX 0.00000 0.08186 0.00000 0.00000 0.06733 141 8PY 0.00000 0.00000 0.08186 0.00000 0.00000 142 8PZ 0.03452 0.00000 0.00000 0.08186 0.00000 143 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 144 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00003 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 8PY 0.06733 142 8PZ 0.00000 0.06733 143 9D 0 0.00000 0.00000 0.00113 144 9D+1 0.00000 0.00000 0.00000 0.00093 145 9D-1 0.00000 0.00000 0.00000 0.00000 0.00093 146 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 147 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 148 8 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3S 0.00000 0.00000 0.00000 0.00000 0.00000 151 4S 0.00000 0.00000 0.00000 0.00000 0.00000 152 5S 0.00000 0.00000 0.00000 0.00000 0.00000 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00003 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00001 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00001 0.00003 0.00000 0.00000 0.00000 180 8PZ 0.00003 0.00001 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 9D+2 0.00113 147 9D-2 0.00000 0.00093 148 8 O 1S 0.00000 0.00000 0.40141 149 2S 0.00000 0.00000 0.41616 0.94585 150 3S 0.00000 0.00000 -0.00960 -0.07893 0.28392 151 4S 0.00000 0.00000 -0.01262 -0.08803 0.31888 152 5S 0.00000 0.00000 -0.00154 -0.01433 0.09425 153 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 154 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4S 0.50688 152 5S 0.19909 0.14335 153 6PX 0.00000 0.00000 0.36565 154 6PY 0.00000 0.00000 0.00000 0.36565 155 6PZ 0.00000 0.00000 0.00000 0.00000 0.36565 156 7PX 0.00000 0.00000 0.17488 0.00000 0.00000 157 7PY 0.00000 0.00000 0.00000 0.17488 0.00000 158 7PZ 0.00000 0.00000 0.00000 0.00000 0.17488 159 8PX 0.00000 0.00000 0.03452 0.00000 0.00000 160 8PY 0.00000 0.00000 0.00000 0.03452 0.00000 161 8PZ 0.00000 0.00000 0.00000 0.00000 0.03452 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 7PX 0.22762 157 7PY 0.00000 0.22762 158 7PZ 0.00000 0.00000 0.22762 159 8PX 0.08186 0.00000 0.00000 0.06733 160 8PY 0.00000 0.08186 0.00000 0.00000 0.06733 161 8PZ 0.00000 0.00000 0.08186 0.00000 0.00000 162 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 163 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 164 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00001 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00003 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 8PZ 0.06733 162 9D 0 0.00000 0.00113 163 9D+1 0.00000 0.00000 0.00093 164 9D-1 0.00000 0.00000 0.00000 0.00093 165 9D+2 0.00000 0.00000 0.00000 0.00000 0.00113 166 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 167 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 3S 0.00000 0.00000 0.00000 0.00000 0.00000 170 4S 0.00000 0.00000 0.00000 0.00000 0.00000 171 5S 0.00000 0.00000 0.00000 0.00000 0.00000 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00003 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00001 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 9D-2 0.00093 167 9 O 1S 0.00000 0.40141 168 2S 0.00000 0.41616 0.94585 169 3S 0.00000 -0.00960 -0.07893 0.28392 170 4S 0.00000 -0.01262 -0.08803 0.31888 0.50688 171 5S 0.00000 -0.00154 -0.01433 0.09425 0.19909 172 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 5S 0.14335 172 6PX 0.00000 0.36565 173 6PY 0.00000 0.00000 0.36565 174 6PZ 0.00000 0.00000 0.00000 0.36565 175 7PX 0.00000 0.17488 0.00000 0.00000 0.22762 176 7PY 0.00000 0.00000 0.17488 0.00000 0.00000 177 7PZ 0.00000 0.00000 0.00000 0.17488 0.00000 178 8PX 0.00000 0.03452 0.00000 0.00000 0.08186 179 8PY 0.00000 0.00000 0.03452 0.00000 0.00000 180 8PZ 0.00000 0.00000 0.00000 0.03452 0.00000 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 7PY 0.22762 177 7PZ 0.00000 0.22762 178 8PX 0.00000 0.00000 0.06733 179 8PY 0.08186 0.00000 0.00000 0.06733 180 8PZ 0.00000 0.08186 0.00000 0.00000 0.06733 181 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 182 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 183 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 184 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 9D 0 0.00113 182 9D+1 0.00000 0.00093 183 9D-1 0.00000 0.00000 0.00093 184 9D+2 0.00000 0.00000 0.00000 0.00113 185 9D-2 0.00000 0.00000 0.00000 0.00000 0.00093 Gross orbital populations: 1 1 1 Ni 1S 1.99966 2 2S 2.00116 3 3S 1.19064 4 4S 0.78569 5 5S 0.53489 6 6S 0.10467 7 7PX 1.99500 8 7PY 1.99500 9 7PZ 1.99500 10 8PX 1.60907 11 8PY 1.60907 12 8PZ 1.60907 13 9PX 0.40265 14 9PY 0.40265 15 9PZ 0.40265 16 10PX 0.33805 17 10PY 0.33805 18 10PZ 0.33805 19 11D 0 0.87280 20 11D+1 0.83257 21 11D-1 0.83257 22 11D+2 0.87280 23 11D-2 0.83257 24 12D 0 0.55929 25 12D+1 0.54069 26 12D-1 0.54069 27 12D+2 0.55929 28 12D-2 0.54069 29 13D 0 0.35511 30 13D+1 0.32765 31 13D-1 0.32765 32 13D+2 0.35511 33 13D-2 0.32765 34 2 C 1S 0.85893 35 2S 1.11109 36 3S 0.63517 37 4S 0.73646 38 5S 0.18550 39 6PX 0.37666 40 6PY 0.37666 41 6PZ 0.37666 42 7PX 0.28043 43 7PY 0.28043 44 7PZ 0.28043 45 8PX 0.06983 46 8PY 0.06983 47 8PZ 0.06983 48 9D 0 0.01768 49 9D+1 0.01374 50 9D-1 0.01374 51 9D+2 0.01768 52 9D-2 0.01374 53 3 C 1S 0.85893 54 2S 1.11109 55 3S 0.63517 56 4S 0.73646 57 5S 0.18550 58 6PX 0.37666 59 6PY 0.37666 60 6PZ 0.37666 61 7PX 0.28043 62 7PY 0.28043 63 7PZ 0.28043 64 8PX 0.06983 65 8PY 0.06983 66 8PZ 0.06983 67 9D 0 0.01768 68 9D+1 0.01374 69 9D-1 0.01374 70 9D+2 0.01768 71 9D-2 0.01374 72 4 C 1S 0.85893 73 2S 1.11109 74 3S 0.63517 75 4S 0.73646 76 5S 0.18550 77 6PX 0.37666 78 6PY 0.37666 79 6PZ 0.37666 80 7PX 0.28043 81 7PY 0.28043 82 7PZ 0.28043 83 8PX 0.06983 84 8PY 0.06983 85 8PZ 0.06983 86 9D 0 0.01768 87 9D+1 0.01374 88 9D-1 0.01374 89 9D+2 0.01768 90 9D-2 0.01374 91 5 C 1S 0.85893 92 2S 1.11109 93 3S 0.63517 94 4S 0.73646 95 5S 0.18550 96 6PX 0.37666 97 6PY 0.37666 98 6PZ 0.37666 99 7PX 0.28043 100 7PY 0.28043 101 7PZ 0.28043 102 8PX 0.06983 103 8PY 0.06983 104 8PZ 0.06983 105 9D 0 0.01768 106 9D+1 0.01374 107 9D-1 0.01374 108 9D+2 0.01768 109 9D-2 0.01374 110 6 O 1S 0.79324 111 2S 1.17673 112 3S 0.62554 113 4S 0.91878 114 5S 0.30157 115 6PX 0.63098 116 6PY 0.63098 117 6PZ 0.63098 118 7PX 0.58796 119 7PY 0.58796 120 7PZ 0.58796 121 8PX 0.21276 122 8PY 0.21276 123 8PZ 0.21276 124 9D 0 0.00461 125 9D+1 0.00445 126 9D-1 0.00445 127 9D+2 0.00461 128 9D-2 0.00445 129 7 O 1S 0.79324 130 2S 1.17673 131 3S 0.62554 132 4S 0.91878 133 5S 0.30157 134 6PX 0.63098 135 6PY 0.63098 136 6PZ 0.63098 137 7PX 0.58796 138 7PY 0.58796 139 7PZ 0.58796 140 8PX 0.21276 141 8PY 0.21276 142 8PZ 0.21276 143 9D 0 0.00461 144 9D+1 0.00445 145 9D-1 0.00445 146 9D+2 0.00461 147 9D-2 0.00445 148 8 O 1S 0.79324 149 2S 1.17673 150 3S 0.62554 151 4S 0.91878 152 5S 0.30157 153 6PX 0.63098 154 6PY 0.63098 155 6PZ 0.63098 156 7PX 0.58796 157 7PY 0.58796 158 7PZ 0.58796 159 8PX 0.21276 160 8PY 0.21276 161 8PZ 0.21276 162 9D 0 0.00461 163 9D+1 0.00445 164 9D-1 0.00445 165 9D+2 0.00461 166 9D-2 0.00445 167 9 O 1S 0.79324 168 2S 1.17673 169 3S 0.62554 170 4S 0.91878 171 5S 0.30157 172 6PX 0.63098 173 6PY 0.63098 174 6PZ 0.63098 175 7PX 0.58796 176 7PY 0.58796 177 7PZ 0.58796 178 8PX 0.21276 179 8PY 0.21276 180 8PZ 0.21276 181 9D 0 0.00461 182 9D+1 0.00445 183 9D-1 0.00445 184 9D+2 0.00461 185 9D-2 0.00445 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Ni 27.071723 0.358295 0.358295 0.358295 0.358295 -0.044199 2 C 0.358295 4.899241 0.003971 0.003971 0.003971 0.521543 3 C 0.358295 0.003971 4.899241 0.003971 0.003971 -0.002178 4 C 0.358295 0.003971 0.003971 4.899241 0.003971 -0.002178 5 C 0.358295 0.003971 0.003971 0.003971 4.899241 -0.002178 6 O -0.044199 0.521543 -0.002178 -0.002178 -0.002178 7.662440 7 O -0.044199 -0.002178 -0.002178 0.521543 -0.002178 0.000088 8 O -0.044199 -0.002178 -0.002178 -0.002178 0.521543 0.000088 9 O -0.044199 -0.002178 0.521543 -0.002178 -0.002178 0.000088 7 8 9 1 Ni -0.044199 -0.044199 -0.044199 2 C -0.002178 -0.002178 -0.002178 3 C -0.002178 -0.002178 0.521543 4 C 0.521543 -0.002178 -0.002178 5 C -0.002178 0.521543 -0.002178 6 O 0.000088 0.000088 0.000088 7 O 7.662440 0.000088 0.000088 8 O 0.000088 7.662440 0.000088 9 O 0.000088 0.000088 7.662440 Mulliken atomic charges: 1 1 Ni -0.328107 2 C 0.215542 3 C 0.215542 4 C 0.215542 5 C 0.215542 6 O -0.133515 7 O -0.133515 8 O -0.133515 9 O -0.133515 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Ni -0.328107 2 C 0.215542 3 C 0.215542 4 C 0.215542 5 C 0.215542 6 O -0.133515 7 O -0.133515 8 O -0.133515 9 O -0.133515 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Electronic spatial extent (au): = 1439.5096 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -59.2547 YY= -59.2547 ZZ= -59.2547 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0000 YY= 0.0000 ZZ= 0.0000 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= -12.7016 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -582.5939 YYYY= -582.5939 ZZZZ= -582.5939 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -214.2822 XXZZ= -214.2822 YYZZ= -214.2822 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 5.971851749752D+02 E-N=-5.860440859834D+03 KE= 1.957925279845D+03 Symmetry A KE= 1.073037330496D+03 Symmetry B1 KE= 2.949626497829D+02 Symmetry B2 KE= 2.949626497829D+02 Symmetry B3 KE= 2.949626497829D+02 Orbital energies and kinetic energies (alpha): 1 2 1 (A1)--O -299.868687 378.598234 2 (A1)--O -35.809150 71.062437 3 (T2)--O -31.232335 69.983123 4 (T2)--O -31.232335 69.983123 5 (T2)--O -31.232335 69.983123 6 (A1)--O -19.231427 29.082829 7 (T2)--O -19.231424 29.083058 8 (T2)--O -19.231424 29.083058 9 (T2)--O -19.231424 29.083058 10 (A1)--O -10.310908 15.937361 11 (T2)--O -10.310899 15.937918 12 (T2)--O -10.310899 15.937918 13 (T2)--O -10.310899 15.937918 14 (A1)--O -4.044001 15.269116 15 (T2)--O -2.631750 13.512028 16 (T2)--O -2.631750 13.512028 17 (T2)--O -2.631750 13.512028 18 (A1)--O -1.168054 2.936712 19 (T2)--O -1.167811 2.940954 20 (T2)--O -1.167811 2.940954 21 (T2)--O -1.167811 2.940954 22 (A1)--O -0.604158 2.338926 23 (T2)--O -0.584950 2.708428 24 (T2)--O -0.584950 2.708428 25 (T2)--O -0.584950 2.708428 26 (A1)--O -0.507726 2.104654 27 (E)--O -0.487642 2.064104 28 (E)--O -0.487642 2.064104 29 (T2)--O -0.486310 1.975868 30 (T2)--O -0.486310 1.975868 31 (T2)--O -0.486310 1.975868 32 (T1)--O -0.478738 2.059219 33 (T1)--O -0.478738 2.059219 34 (T1)--O -0.478738 2.059219 35 (T2)--O -0.463696 3.065625 36 (T2)--O -0.463696 3.065625 37 (T2)--O -0.463696 3.065625 38 (E)--O -0.315347 7.530094 39 (E)--O -0.315347 7.530094 40 (T2)--O -0.270541 6.215104 41 (T2)--O -0.270541 6.215104 42 (T2)--O -0.270541 6.215104 43 (T2)--V -0.051158 3.448950 44 (T2)--V -0.051158 3.448950 45 (T2)--V -0.051158 3.448950 46 (E)--V -0.042364 3.168897 47 (E)--V -0.042364 3.168897 48 (T1)--V -0.022446 2.092134 49 (T1)--V -0.022446 2.092134 50 (T1)--V -0.022446 2.092134 51 (A1)--V 0.021081 0.400966 52 (T2)--V 0.106409 0.750848 53 (T2)--V 0.106409 0.750848 54 (T2)--V 0.106409 0.750848 55 (T2)--V 0.199879 0.900075 56 (T2)--V 0.199879 0.900075 57 (T2)--V 0.199879 0.900075 58 (A1)--V 0.206131 1.541940 59 (E)--V 0.216628 0.846363 60 (E)--V 0.216628 0.846363 61 (T1)--V 0.288075 0.831303 62 (T1)--V 0.288075 0.831303 63 (T1)--V 0.288075 0.831303 64 (A1)--V 0.297818 1.534092 65 (T2)--V 0.316086 0.905604 66 (T2)--V 0.316086 0.905604 67 (T2)--V 0.316086 0.905604 68 (A1)--V 0.331428 1.737645 69 (T2)--V 0.386109 2.609522 70 (T2)--V 0.386109 2.609522 71 (T2)--V 0.386109 2.609522 72 (A1)--V 0.451437 1.257299 73 (T2)--V 0.475369 1.360379 74 (T2)--V 0.475369 1.360379 75 (T2)--V 0.475369 1.360379 76 (E)--V 0.520839 1.715837 77 (E)--V 0.520839 1.715837 78 (T2)--V 0.545346 1.435716 79 (T2)--V 0.545346 1.435716 80 (T2)--V 0.545346 1.435716 81 (T1)--V 0.623379 1.503527 82 (T1)--V 0.623379 1.503527 83 (T1)--V 0.623379 1.503527 84 (T2)--V 0.666536 3.381357 85 (T2)--V 0.666536 3.381357 86 (T2)--V 0.666536 3.381357 87 (T2)--V 0.815254 2.151958 88 (T2)--V 0.815254 2.151958 89 (T2)--V 0.815254 2.151958 90 (A1)--V 0.817437 4.022768 91 (A1)--V 0.867599 2.069503 92 (E)--V 0.903677 3.898802 93 (E)--V 0.903677 3.898802 94 (T2)--V 1.302013 4.063453 95 (T2)--V 1.302013 4.063453 96 (T2)--V 1.302013 4.063453 97 (T1)--V 1.384659 3.617790 98 (T1)--V 1.384659 3.617790 99 (T1)--V 1.384659 3.617790 100 (T2)--V 1.384826 5.032573 101 (T2)--V 1.384826 5.032573 102 (T2)--V 1.384826 5.032573 103 (E)--V 1.415879 3.672933 104 (E)--V 1.415879 3.672933 105 (T2)--V 1.423912 3.757290 106 (T2)--V 1.423912 3.757290 107 (T2)--V 1.423912 3.757290 108 (A1)--V 1.431969 3.824927 109 (T1)--V 1.598284 2.804653 110 (T1)--V 1.598284 2.804653 111 (T1)--V 1.598284 2.804653 112 (T2)--V 1.602764 3.209958 113 (T2)--V 1.602764 3.209958 114 (T2)--V 1.602764 3.209958 115 (E)--V 1.605958 2.920563 116 (E)--V 1.605958 2.920563 117 (T1)--V 1.636130 3.372325 118 (T1)--V 1.636130 3.372325 119 (T1)--V 1.636130 3.372325 120 (T2)--V 1.743713 3.721454 121 (T2)--V 1.743713 3.721454 122 (T2)--V 1.743713 3.721454 123 (T2)--V 1.927908 4.030366 124 (T2)--V 1.927908 4.030366 125 (T2)--V 1.927908 4.030366 126 (E)--V 1.959926 3.942866 127 (E)--V 1.959926 3.942866 128 (A1)--V 2.030730 4.504476 129 (T2)--V 2.229570 6.371773 130 (T2)--V 2.229570 6.371773 131 (T2)--V 2.229570 6.371773 132 (A1)--V 2.315341 4.055789 133 (T2)--V 2.476453 7.518078 134 (T2)--V 2.476453 7.518078 135 (T2)--V 2.476453 7.518078 136 (T2)--V 2.569797 6.536519 137 (T2)--V 2.569797 6.536519 138 (T2)--V 2.569797 6.536519 139 (E)--V 2.570069 6.456497 140 (E)--V 2.570069 6.456497 141 (T1)--V 2.591667 4.350896 142 (T1)--V 2.591667 4.350896 143 (T1)--V 2.591667 4.350896 144 (E)--V 2.596382 4.453488 145 (E)--V 2.596382 4.453488 146 (T2)--V 2.601779 4.435954 147 (T2)--V 2.601779 4.435954 148 (T2)--V 2.601779 4.435954 149 (T1)--V 2.622755 6.536609 150 (T1)--V 2.622755 6.536609 151 (T1)--V 2.622755 6.536609 152 (A1)--V 2.805469 6.868203 153 (T2)--V 2.927910 7.450574 154 (T2)--V 2.927910 7.450574 155 (T2)--V 2.927910 7.450574 156 (A1)--V 3.105453 7.904612 157 (T2)--V 3.150769 8.019838 158 (T2)--V 3.150769 8.019838 159 (T2)--V 3.150769 8.019838 160 (T1)--V 3.222767 5.191706 161 (T1)--V 3.222767 5.191706 162 (T1)--V 3.222767 5.191706 163 (T2)--V 3.257931 5.457570 164 (T2)--V 3.257931 5.457570 165 (T2)--V 3.257931 5.457570 166 (E)--V 3.285544 5.409914 167 (E)--V 3.285544 5.409914 168 (A1)--V 3.614357 16.986616 169 (T2)--V 4.119426 9.746151 170 (T2)--V 4.119426 9.746151 171 (T2)--V 4.119426 9.746151 172 (E)--V 4.206010 14.079361 173 (E)--V 4.206010 14.079361 174 (A1)--V 4.370857 8.935724 175 (T2)--V 4.553239 12.144479 176 (T2)--V 4.553239 12.144479 177 (T2)--V 4.553239 12.144479 178 (T2)--V 21.910146 55.564894 179 (T2)--V 21.910146 55.564894 180 (T2)--V 21.910146 55.564894 181 (A1)--V 22.081554 55.740341 182 (T2)--V 43.346290 108.521394 183 (T2)--V 43.346290 108.521394 184 (T2)--V 43.346290 108.521394 185 (A1)--V 43.403142 108.580862 Total kinetic energy from orbitals= 1.957925279845D+03 1|1|UNPC-THINKPADT400S|FOpt|RB3LYP|TZVP|C4Ni1O4|KLUEFERS|24-Jan-2011|0 ||# opt b3lyp/tzvp geom=connectivity pop=full symm=loose||Title Card R equired||0,1|Ni,-0.7865168288,-0.3558044148,-0.0000000762|C,-0.1716155 002,0.5137759867,-1.5061656811|C,-0.1716471447,-2.0949834796,-0.000001 6217|C,-0.1716175329,0.5137725912,1.506168319|C,-2.6311871374,-0.35578 27574,-0.0000013209|O,0.2072786199,1.0496000056,-2.4342451388|O,0.2072 753347,1.0495945177,2.434249496|O,-3.7678487462,-0.3557694124,-0.00000 20879|O,0.2072274765,-3.1666427699,-0.000002574||Version=IA32W-G09RevA .02|State=1-A1|HF=-1961.9422053|RMSD=4.211e-009|RMSF=1.836e-005|Dipole =0.,0.,0.|Quadrupole=0.,0.,0.,0.,0.,0.|PG=TD [O(Ni1),4C3(.C1O1)]||@ WOMEN HOLD UP HALF THE SKY. -- MAO TSE TUNG Job cpu time: 0 days 0 hours 2 minutes 33.0 seconds. File lengths (MBytes): RWF= 26 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Mon Jan 24 12:20:15 2011.