A question about frequency calculation

wangbw bingwuwang at vip.sina.com
Wed Dec 3 11:22:15 GMT 2003

Dear molpro users,

I want to a frequency calculations for a diatomic molecule using CASPT2/ecp10mdf level of theory, but it always exits with errors. Can I do the frequency calculation using CASPT2 method? Any information will be appreciated.

Good time,

Chemistry Department
Peking University, Beijing, China

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