W:CAS Optimization Using Guassian Programm
- From: "Zhe, , Li" <yihongzhurenlizhe !=!
yahoo.com>
- Subject: W:CAS Optimization Using Guassian Programm
- Date: Wed, 27 Apr 2005 11:16:28 -0400
Dear all:
I have a question about CAS(12,10) optimization on benzamide. First, should I
have to add the key word 'FullDiag' after the CAS? Second, if I add the key
word, does it need so much memory that it is impossible to carry out the work on
personal computer? Third, if anyone has some better advise, please contact me by
E-mail: yihongzhurenlizhe !=! yahoo.com
Thank you very much.
a freshman on computational chemistry
Zhe Li