From owner-chemistry@ccl.net Tue Jul  8 09:15:00 2008
From: "Thiago Correra tcorrera##iq.usp.br" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: Sulfur basis set
Message-Id: <-37311-080708080832-18265-fM5E82kmxzNyHkwU2PAOww a server.ccl.net>
X-Original-From: "Thiago  Correra" <tcorrera=-=iq.usp.br>
Date: Tue, 8 Jul 2008 08:08:28 -0400


Sent to CCL by: "Thiago  Correra" [tcorrera(-)iq.usp.br]
Dear CCL subscribers,

I'm wondering if there's not some review or any other information about sulfur basis set.
I want to model conformational transition states for C=S bond containing heterocyclic compounds, and I don't know if the 6-311+G(d,p) is a good choice.
There are about 40 atoms in those compounds, and 5 of them are heavy, like sulfur and clorine, so please, be gentle.
Thanks in advance,

Thiago Correra - tcorrera*o*iq.usp.br
Instituto de Qumica, Universidade de So Paulo - Brasil.