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Is the application of FREQUENCIES restricted to the lowest state of a given
spin multiplicity?
<BR>Is it posssible for, eg a C2v molecule, to calculate the harmonic vibrational
frequencies for each
<BR>of the optimized geometries for 1 A1, 1B1, 1 B2 etc?
<BR>David Hirst
<PRE>--
Dr. David M. Hirst | D.M.Hirst@warwick.ac.uk
Department of Chemistry, |
University of Warwick, | Phone: +44-24-7652-3257
Coventry CV4 7AL, UK. | Fax: +44-24-7652-4112
WWW: <A HREF="http://www.warwick.ac.uk/fac/sci/Chemistry/astaff/hirst/index.htm">http://www.warwick.ac.uk/fac/sci/Chemistry/astaff/hirst/index.htm</A></PRE>
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