Subject: raman intensities

From: "Dmitry Rozmanov" <[email-masked]>
Date: Thu, 27 Mar 2003 00:32:39 +0300

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.

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

> Gamess itself calculates only IR intensities for vibrational spectrum. How

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: [email-masked]
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