questions

From: " Jingzhong Guo" <jz_guo &$at$& hotmail.com>
Subject: questions
Date: Tue, 18 Mar 1997 05:21:41 -0800 (PST)

 Hello CCL:
       Recently, we are interested in the reactions of some diatomic species
 such as NH, NF, PH, PF, etc. For these species with pi-2 confuguration, the
 ground state is 'X triplet-SIGMA',  the lowest singlet state is 'a
 singlet-DELTA'.  When computing the singlet state using Gaussian92 program
 directly, it seems that the state we obtained is the second singlet state ('b
 singlet-SIGMA'). I would like to know  the calculating method to obtain the
 geometries and energies of these species in the lowest singlet state ('a
 singlet-DELTA'). Can I use Gaussian-2 theory to deal with these singlet states?
 What is input for such a calculatin?
 Dr. Jingzhong GUO
 Department of Chemistry
 Shandong University
 Jinan 250100
 P. R. China
 Email: guojz &$at$& sdunetsv2.sdu.edu.cn       or     jz_guo &$at$& hotmail.com
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