Subject: Raman/IR spectra

From: "Patrik Johansson" <[email-masked]>
Date: Wed, 13 May 1998 13:53:42 +0000

Dear CCLers

Does anyone know of a program which can be used to construct an artificial
vibrational spectrum from a Freq calculation in G94 or similar e.g. using the
 .log file or .chk file ?

For my purpose it would be nice if overlapping bands, overtones and mixed
bandforms could be treated as well as the possibility to change the FWHH
parameter for each band individually.

Thanks for any answers and of course I will summarise the replies.

Patrik

-- 
Dr Patrik Johansson
Inorg. Chem. Angstromlaboratory
Box 538 SE-751 21 Uppsala
Uppsala University SWEDEN
[email-masked]