From chemistry-request@server.ccl.net Wed Mar 26 17:55:20 2003
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Date: Wed, 26 Mar 2003 14:55:08 -0800
From: Galina Chaban <chaban@nas.nasa.gov>
To: Dmitry Rozmanov <dima@xenon.spb.ru>
cc: CCL <chemistry@ccl.net>
Subject: Re: CCL:raman intensities
In-Reply-To: <058501c2f3df$39eb1740$0203a8c0@goblin>
Message-ID: <Pine.SGI.4.44.0303261449110.275432-100000@pauli.nas.nasa.gov>
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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

------------------------------------
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: chaban@nas.nasa.gov
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