Subject: Re: CCL:raman intensities

From: Galina Chaban <[email-masked]>
Date: Wed, 26 Mar 2003 14:55:08 -0800

On Thu, 27 Mar 2003, Dmitry Rozmanov wrote:

> Hello.
>
> I would like to get Raman intensities from Gamess results. Is there any
> software for this?
>
> Gamess itself calculates only IR intensities for vibrational spectrum. How
> can I get Raman ones?
>
> Regards.
>
>     ---Dmitry.
>

Gamess calculates Raman intensities (runtyp=RAMAN job must follow
a previous runtyp=hessian calculation).

Galina

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Dr. Galina Chaban
NASA Ames Research Center
Mail Stop T27B-1
Moffett Field, CA 94035-1000
Tel (650) 604-4995
Fax (650) 604-1095
e-mail: [email-masked]
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