Using Symmetry in Geometry Optimization
symmetry operations and point groups
determining the point group of a given system
Mulliken symbols for representations
irreducible representations of point groups
Some examples of molecules with different point group symmetries:
The C
2
point group - hydrogen peroxide
The C
s
point group - methanol
The C
i
point group - 1,2-dichloro-1,2-difluoroethane
The C
2v
point group - formaldehyde
The C
2h
point group -
trans
-1,2-dichloroethylene
The D
2h
point group - ethylene
The D
5h
point group - cyclopentadienyl anion
last changes: 18.03.2008, HZ questions & comments to:
zipse@cup.uni-muenchen.de