This point group contains the following symmetry operations:
E the identity operation
C_{2} a twofold principal symmetry axis
2 * C_{2} two twofold symmetry axes orthogonal to the principal axis
i inversion through a center of symmetry
σ_{h} a horizontal mirror plane intersecting the principal symmetry axis
2 * σ_{v} two vertical mirror planes aligned with the principal symmetry axis
A simple example for a D_{2h} symmetric molecule is ethylene
(C_{2}H_{4}), here in its HF/6-31G(d) optimized structure:
#P RHF/6-31G(d) opt=(Z-Matrix,tight) RHF/6-31G(d) opt min ethylene D2h sym. 0 1 X1 X2 1 1.0 C3 2 r3 1 90.0 C4 2 r3 1 90.0 3 180.0 H5 3 r5 2 a5 1 -90.0 H6 3 r5 2 a5 1 90.0 H7 4 r5 2 a5 1 -90.0 H8 4 r5 2 a5 1 90.0 r3=0.65846705 r5=1.07598871 a5=121.81387521 |
last changes: 08.06.2006, HZ questions & comments to: zipse@cup.uni-muenchen.de