From owner-chemistry@ccl.net Sun Nov 13 12:42:01 2005
From: "yang zhen na yangzn553%a%nenu.edu.cn" <owner-chemistry###server.ccl.net>
To: CCL
Subject: CCL: excited state optimization
Message-Id: <-29956-051113085634-2003-cAKo4cL0exNZdJx2Vyy2nQ###server.ccl.net>
X-Original-From: "yang zhen na" <yangzn553 a nenu.edu.cn>


Sent to CCL by: "yang zhen na" [yangzn553##nenu.edu.cn]
 First,I don't know how to use cis-mp2 method  to optimize the molecule, what keywords should I input?
Second, how to use UHF method to optimize the molecule in neutral form in the excited state? Is the charge and multiplicity zero and one respectively?
Third, how to search the energy of the molecule in the excited state in the output file of optimization using cis method. That is to say which keywords should I search, scf done or E(cis).
please help me, I need your help. thank you very much.