From chemistry-request -8 at 8- ccl.net Tue Jul  1 09:15:47 2003
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Date: Tue, 1 Jul 2003 21:16:36 +0800
From: wxin <wxinmail{at}sohu.com>
To: "chemistry{at}ccl.net" <chemistry{at}ccl.net>
Subject: About CASSCF in Gaussian98
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Dear CCL-lister,

   I am now using Gaussian98 to do CASSCF calculation,but now
I have some problem. I want to use a state-average CAS orbital 
to optimize the upper state geometry of the two state that  
are close in energy. How to realize this kind of calculation in G98?
Does anyone has experience on this and gives some advice?
   Thank you.  

   Xin Wang
   Dept Chem, Nanjing Univ    
   P.R.China