frequency calculation using CASPT2 ???

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Posted by Joonghan Kim on February 08, 2007 at 03:05:09:

Is it impossible to perform frequency calculation using CASPT2 method in molcas 6.4 ???
I saw error message in MCKINLEY.

OpnFls: Wavefunction type:CASPT2
Illegal type of wave function!
McKinley can not continue

Joonghan Kim



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