From owner-chemistry@ccl.net Wed Apr 1 08:38:00 2009 From: "Lydia Rhyman lyd_rhyman#%#hotmail.co.uk" To: CCL Subject: CCL: NBO interpretation Message-Id: <-38985-090401080149-23961-fVkajqfTBbsybBC4IKOkeQ]*[server.ccl.net> X-Original-From: "Lydia Rhyman" Date: Wed, 1 Apr 2009 08:01:45 -0400 Sent to CCL by: "Lydia Rhyman" [lyd_rhyman:_:hotmail.co.uk] Dear CCL Users In one of the NBO results, for a P-S bond in a molecule, I got sigma P-S = 0.612 (sp7.68)P + 0.791 (sp7.29)S I cannot understand the meaning of p power 7.68 and p power 7.29. Any help or suitable reference to understand NBO? Many thanks. L. Rhyman