Posted by Luis Serrano on March 23, 2001 at 18:34:46:
In Reply to: Structure program posted by Mahalakshmi on March 06, 2001 at 17:27:38:
Your input of the rasscf program is wrong.
Under the keyword SPIN you have to include
the spin multiplicity (2S+1) of the state. If you
have an even number of electrons this means
1 (singlet), 3 (tripet), 5 (quintet), etc
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