From owner-chemistry@ccl.net Wed Mar 18 07:53:01 2015
From: "Sergio Manzetti sergio.manzetti*outlook.com" <owner-chemistry]-[server.ccl.net>
To: CCL
Subject: CCL: Gaussian Job
Message-Id: <-51135-150318075118-28515-760VDPvCrfFAgaJLQTvnFg]-[server.ccl.net>
X-Original-From: "Sergio  Manzetti" <sergio.manzetti[*]outlook.com>
Date: Wed, 18 Mar 2015 07:51:16 -0400


Sent to CCL by: "Sergio  Manzetti" [sergio.manzetti__outlook.com]
Thanks Brian. At the end of the day, G09 was not able to solve this structure. I am trying GAMESS instead, however I cannot find an equivalent to CASSCF  method in the example section of GAMESS US. Can anyone recommend the most accurate method to treat a very small system (Computational time and speed is irrelevant)?

Thanks