From chemistry-request _-at-_)ccl.net Thu Nov 27 05:10:47 2003
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Date: Thu, 27 Nov 2003 11:10:14 +0100 (MET)
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From: Giju Kalathingal <gkalathi$at$vub.ac.be>
To: chemistry$at$ccl.net
Subject: Summary:Geometry optimization with BSSE correction
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Dear CCl-all,

Thanks to all for providing the information.

It could be summarized as follows.
Gaussian98 A10/A11, Gaussian 03, Gamess(US), and MOLPRO are capable
of doing it. We have tested it with Argon dimer using Gaussian03.
The optimization succeeded only under non-symmetry (NOSYMMETRY keyword).

Very useful webpage on this is,
http://iqc.udg.es/~perico/bbopt.html


Giju Kalathingal

Department of General Chemistry (ALGC)    
Vrije Universiteit Brussel          
Pleinlaan 2, 1050 Brussels, Belgium. 
Tel.:++32-2-629-3315 Fax: ++32-2-629-3317
E-mail: Giju.Kalathingal$at$vub.ac.be
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