From owner-chemistry@ccl.net Fri Jan 21 10:14:00 2011
From: "Jim Kress ccl_nospam-*-kressworks.com" <owner-chemistry_-_server.ccl.net>
To: CCL
Subject: CCL: Chemistry
Message-Id: <-43720-110121095723-21725-3RpsV2yi+fftzOctASjPbg_-_server.ccl.net>
X-Original-From: "Jim  Kress" <ccl_nospam++kressworks.com>
Date: Fri, 21 Jan 2011 09:57:20 -0500


Sent to CCL by: "Jim  Kress" [ccl_nospam- -kressworks.com]
If you use NBO on your system, it will automatically classify all the orbitals with respect to their sigma, pi, n - bonding and antibonding (*) characteristics.  Then you will automatically be able to find the information you desire, since you have the orbital numbers.

http://www.chem.wisc.edu/~nbo5/


Jim