Using Symmetry in Geometry Optimization

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• 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 C₂ 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