From owner-chemistry- at -ccl.net Fri Nov 18 09:47:01 2011
From: "James McDonagh jm222 . st-andrews.ac.uk" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: IEFPCM non-electrostatics in G09
Message-Id: <-45899-111118094359-20813-9uyTKHvY3WMOF07rWY6eDg],[server.ccl.net>
X-Original-From: "James   McDonagh" <jm222##st-andrews.ac.uk>
Date: Fri, 18 Nov 2011 09:43:56 -0500


Sent to CCL by: "James   McDonagh" [jm222]|[st-andrews.ac.uk]
Dear all, 
              

I am running optimization with IEFPCM and include the non-electrostatic 
contributions using the keywords rep, dis and cav. My questions are;  Are these 
terms contributions included in the optimization process or calculated separately? Secondly is there a way to have their individual contributions or 
total contribution printed in the output?

Thanks in advance, 

James