From owner-chemistry@ccl.net Thu Feb 23 10:28:01 2006
From: "Pierre Mignon pmignon-$-vub.ac.be" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL:G: Electronic Part of MEP
Message-Id: <-30986-060223102529-26181-rH58G18zdzVO3h5Jyc7j/w*|*server.ccl.net>
X-Original-From: Pierre Mignon <pmignon*o*vub.ac.be>
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Date: Thu, 23 Feb 2006 16:25:18 +0100 (CET)
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Sent to CCL by: Pierre Mignon [pmignon#vub.ac.be]
Dear, 

With Gaussian it is quite simple. Use the keyword prop=potential and iop(6/17=2) then at the end specify the points where you want the values to be calculated.

Regards,
Pierre.

>Sent to CCL by: =?iso-8859-1?Q?Carlos_C=E1rdenas?= [car.cardenas{:}uandresbello.edu]
>
>Dear all
>
>Anybody know how to calculate the electronic part of molecular electrostatic 
>potential with any standart package (Gauusian,ADF,NWchem...)? I would not 
>programig, if is not extrictly necessary.
>
>Best for all,
>
>Carlos Cárdenas>
>
>
>

Mignon Pierre PhD
Free University of Brussel (VUB)
Dienst Algemene Chemie (ALGC)
Pleinlaan, 2
1050 Brussels
Belgium
Tel + 32 2 629 35 80
Fax + 32 2 629 33 17
e-mail pmignon**vub.ac.be