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

- Re: frequency calculation using CASPT2 ???
**Roland Lindh***10:19:57 2/08/07*(5)- Re: frequency calculation using CASPT2 ???
**Joonghan Kim***14:00:17 2/08/07*(4)- Re: frequency calculation using CASPT2 ???
**Roland Lindh***23:26:55 2/15/07*(3)- Re: frequency calculation using CASPT2 ???
**Joonghan Kim***10:03:04 2/16/07*(2)- Re: frequency calculation using CASPT2 ???
**Per Ake Malmqvist***15:54:16 2/17/07*(1)- Re: frequency calculation using CASPT2 ???
**Joonghan Kim***11:20:10 2/20/07*(0)

- Re: frequency calculation using CASPT2 ???

- Re: frequency calculation using CASPT2 ???

- Re: frequency calculation using CASPT2 ???

- Re: frequency calculation using CASPT2 ???

- Re: frequency calculation using CASPT2 ???