frequencies

[David M. Hirst]

Is the application of FREQUENCIES restricted to the lowest state of a
given spin multiplicity?
Is it posssible for, eg a C2v molecule, to calculate the harmonic
vibrational frequencies for each
of the optimized geometries for 1 A1, 1B1, 1 B2 etc?
David Hirst

--
Dr. David M. Hirst                           | D.M.Hirst at warwick.ac.uk
Department of Chemistry,                     |
University of Warwick,                       | Phone: +44-24-7652-3257
Coventry CV4 7AL, UK.                        | Fax:   +44-24-7652-4112

WWW: http://www.warwick.ac.uk/fac/sci/Chemistry/astaff/hirst/index.htm


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