From owner-chemistry@ccl.net Tue May 15 16:48:01 2007
From: "Junru Li ljr03__hotmail.com" <owner-chemistry]-[server.ccl.net>
To: CCL
Subject: CCL:G: Any suggestions for using WTBS
Message-Id: <-34271-070515140212-21721-hAPApsu2HjhdXL3qOsgJXA]-[server.ccl.net>
X-Original-From: "Junru  Li" <ljr03]-[hotmail.com>
Date: Tue, 15 May 2007 14:02:09 -0400


Sent to CCL by: "Junru  Li" [ljr03]~[hotmail.com]
Dear all,

I am using the Gaussian 03 to optimize the strucure of HgCl in terms of bond length with UHF mehtod and WTBS for Hg. However, the output alway shows the words "Overflow in choose". I tried to use different ways to work it out, but they did not work. Thus, I wonder if you can give any suggestions?


Thank you for helping
Junru

Junru Li, PhD
University of Nottingham
Email: ljr03%a%hotmail.com