Subject: Re: CCL:Mulliken population analysis

From: "S.I. Gorelsky" <[email-masked]>
Date: Sun, 24 Mar 2002 20:49:50 -0500 (EST)

> Dear CCLers,
> It seems to me that Gaussian program does not provide a complete Mulliken
> population analysis which gives the composition of the MOs in terms of
> various AOs. Could someone please recommand any program that can? Thanks in
> advance.
>
> Hongbin Du, PhD
> Steacie Institute for Molecular Sciences
> National Research Council
> Ottawa, Ontario K1A 0R6, Canada

Here is the program (AOMix) which does what you ask:

http://www.obbligato.com/SOFTWARE/SG/AOMix/

With regards,

  Serge

________________________________________________________________

                     S. I. Gorelsky, Ph.D.
          Department  of  Chemistry,  York University
          4700 Keele Street, Toronto, Ontario M3J 1P3
          Canada

          Phone: 416-736-2100 ext#70131
          Fax:   416-736-5936
                http://www.chem.yorku.ca/grad/SG/
________________________________________________________________