Subject: Relaxed PES Scans Vs Partial Optimizations

From: "William Wei" <william.wei[at]utoronto.ca>
Date: Fri, 19 Sep 2003 12:45:03 -0500

After reading the "gaussian 98 user's reference" about PES scan, seems
"opt=ModRedundant" does the same thing with "opt=Z-matrix" specifying the
"S". Could anybody tell me what is the different? Thanks.

Best regards,
William

-------------------------
William Wei
Molecular Design and Information Technology (MDIT) center
Faculty of Pharmacy, University of Toronto
19 Russell Street, Toronto, ON. M5S 2S2
Tel: 1-416-946-8469
Fax: 1-416-978-8511
Email: william.wei[at]utoronto.ca
       william[at]phm.utoronto.ca