Subject: N2+ cation 2PIU state by G98?

From: Zheng Xiao <xzheng~at~yangtze.hku.hk>
Date: Tue, 5 Aug 2003 16:37:14 +0800 (HKT)

Dear All,

I am puzzled by some of the data in G1 database. For example, how to make 
a G98 input file to calculate the energy of N2+ cation to retrieve the 
ionization potential of nitrogen by G1 method? Since there are two 
electronic states for N2+ cation of the same multiplicity (2PIU and 
2SGG), I wonder how to specify each of them by G98 input.

Thanks in advance.

Sincerely yours,
ZX

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C---------------------------------------C
C   Zheng Xiao                          C
C   Ph.D. Candidate                     C
C   Department of Chemistry             C
C   University of Hong Kong             C
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