<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2//EN">
<HTML>
<HEAD>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=us-ascii">
<META NAME="Generator" CONTENT="MS Exchange Server version 6.0.6603.0">
<TITLE>Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?</TITLE>
</HEAD>
<BODY>
<!-- Converted from text/rtf format -->
<BR>
<P><FONT SIZE=2 FACE="Arial">Those QCISD(T) calcs you mentioned were computed using Gaussian98.</FONT>
</P>
<P><FONT SIZE=2 FACE="Arial">Ryan P. A. Bettens</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">Assistant Professor,</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">Department of Chemistry,</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">National University of Singapore.</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">3 Science Drive 3</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">Singapore 117543</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">Telephone: +65 6516 2846</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">FAX: +65 6779 1691</FONT><FONT FACE="Times New Roman"><BR>
</FONT><FONT SIZE=2 FACE="Arial">email: chmbrpa@nus.edu.sg</FONT><FONT FACE="Times New Roman"></FONT>
</P>
</BODY>
</HTML>