From owner-chemistry@ccl.net Mon Feb 20 13:18:00 2006
From: "Goedele Roos groos|a|vub.ac.be" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: 6-31G basis set
Message-Id: <-30940-060220131645-24695-/o8P1ibP953CLaG6M4rXRw a server.ccl.net>
X-Original-From: Goedele Roos <groos|a|vub.ac.be>
Date: Mon, 20 Feb 2006 19:16:38 +0100 (CET)


Sent to CCL by: Goedele Roos [groos]^[vub.ac.be]
Dear all,
I've read somewhere that the 6-31G basis set in combination with HF is a bit tricky and that one can better use a 6-31G** basis set. Is thit correct? And what is the reason therefore?

Thanks in advance for considering my question,
Best regards, goedele

Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17