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From: Rajarshi Guha <rajarshi {*at*} presidency.com>
Reply-To: rajarshi -x- at -x- presidency.com
To: chemistry -A_T- ccl.net
Subject: a question regarding Mopac & polarizabilities
Date: Fri, 7 Jun 2002 10:15:53 -0400
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Hi,
  I'm using Mopac 7.01 and am trying to calculate polarizabilities. I am a 
little confused by the instructions in the manual - does the end of the deck 
mean the end of the mopac input file or the line after the keyword line.

Further more I only need the linear polarizability (alpha) - and I am unsure 
of what values I need to fill up for Nfreq etc. 

I would be very grateful if somebody could provide an example of the setup for 
a polarizability calculation

TIA,

- -- 
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Rajarshi Guha                  | email: rajarshi: at :presidency.com
417 Davey Laboratory           | web  : http:// www.jijo.cjb.net
Dept. Of Chemistry             | ICQ  : 123242928
Pennsylvania State University  | AIM  : LoverOfPanda
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