From chemistry-request@server.ccl.net Sun Mar 24 20:50:13 2002 Received: from sungod.ccs.yorku.ca ([130.63.236.104]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2P1oDp13957 for ; Sun, 24 Mar 2002 20:50:13 -0500 Received: from sunburn.ccs.yorku.ca (sunburn.ccs.yorku.ca [130.63.236.110]) by sungod.ccs.yorku.ca (8.9.3/8.9.3) with ESMTP id UAA25224; Sun, 24 Mar 2002 20:50:00 -0500 (EST) Received: from localhost (serge@localhost) by sunburn.ccs.yorku.ca (8.9.3/8.9.3) with ESMTP id UAA06001; Sun, 24 Mar 2002 20:49:53 -0500 (EST) X-Authentication-Warning: sunburn.ccs.yorku.ca: serge owned process doing -bs Date: Sun, 24 Mar 2002 20:49:50 -0500 (EST) From: "S.I. Gorelsky" X-X-Sender: serge@sunburn.ccs.yorku.ca To: Hongbin Du cc: CHEMISTRY@ccl.net Subject: Re: CCL:Mulliken population analysis In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII > 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/ ________________________________________________________________