Subject: WG: CCL:Molecular orbital coefficients

From: Andreas Serr <andreas.serr)at(uni-bielefeld.de>
Date: Wed, 19 May 2004 10:38:49 +0200

Dear Dr Drexler,

Sergei Gorelsky's programme does that job.
It also employs a variety of population analyses.

http://www.stanford.edu/~gorelsky/software/aomix/

Also have a look at Noel O'Boyle's GaussSum, which
is also a fine programme to process Gaussian or
Gamess output files.

http://gausssum.sourceforge.net/

Andreas Serr

> 
> Does someone know Gaussian settings (e.g. Mullikan
population 
> analysis?)  
> or a program that can give us information about
the contribution of 
> each  
> atom to each MO? We are looking for a table of
results like