Subject: G98 vibrational spectra

From: Stefan Bromley <[email-masked]>
Date: Thu, 13 Feb 2003 11:03:29 +0100

Dear all,

does anyone know of a program to produce variably-gaussian-broadened 
IR spectra from the output of a G98 frequency calculation. Viewmol 
2.3, which should have this facility, does not seem to accept my g89 
output files.

Thanks,

Stefan ________________________________________________________

Dr Stefan T. Bromley
Laboratory of Applied Organic Chemistry and Catalysis
DelftChemTech, Delft University of Technology
Julianalaan 136, 2628 BL Delft
The Netherlands

Phone  : + 31 1527 89418
 
e-mail  : [email-masked]
________________________________________________________