CCL:G: Degeneracy in Molecular orbital

["William F. Coleman" <wcoleman-$-wellesley.edu>]

 Sent to CCL by: "William F. Coleman" [wcoleman**wellesley.edu]
 >1-How can I know the degeneracy in molecular orbital(singlet , duplet or
 >triblet)if the molecule has C1 symmetry, using the output from Gaussian
 >03.
 If the symmetry is C1 then there is only one irreducible representation
 and it is non-degenerate, so there are no true degeneracies possible.
 Depending on the complexity molecule there may be "accidental
 degeneracies", orbitals with the same energy to several significant
 figures.
 Cheers,
 Flick
 _______________
 William F. Coleman
 Professor of Chemistry
 Wellesley College
 Wellesley MA 02481
 www.wellesley.edu/Chemistry/colemanw.html
 Editor, JCE WebWare and JCE Featured Molecules
 http://www.jce.divched.org/JCEDLib/WebWare/
 http://jchemed.chem.wisc.edu/JCEWWW/Features/MonthlyMolecules/index.html