From owner-chemistry -A_T- ccl.net Thu Jan 28 11:23:00 2010
From: "Kayla M Keller k.keller(~)sussex.ac.uk" <owner-chemistry^-^server.ccl.net>
To: CCL
Subject: CCL:G: G03 orbital contributions
Message-Id: <-41126-100128110540-25154-Meeuiruwx+L00SgORBgwGg^-^server.ccl.net>
X-Original-From: "Kayla  M Keller" <k.keller .. sussex.ac.uk>
Date: Thu, 28 Jan 2010 11:05:37 -0500


Sent to CCL by: "Kayla  M Keller" [k.keller]_[sussex.ac.uk]
All, 

Could someone please tell me how to get the percentage orbital contributions (i.e. orbital-by-orbital population analysis) from a Gaussian 03 output file (via software or otherwise). I understand that G09 can do it but we haven't upgraded yet.  

Many thanks, 
Kayla


-- 
Kayla M. Keller

Computational and Synthetic Inorganic Chemistry

Turner Group

Department of Chemistry
University of Sussex
Falmer
Brighton
BN1 9QJ 
UK

k.keller-.-sussex.ac.uk

"Computers are incredibly fast, accurate and stupid.  Human beings are 
incredibly slow, inaccurate and brilliant.  Together they are powerful 
beyond imagination."  
					--Albert Einstein