Geometry optimizations / Frequencies


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Posted by Pawel Wielgus on January 10, 2006 at 12:10:36:

Dear MOLCAS Users,

I was searching through MOLCAS manual files to find a way to optimize the geometry and calculate frequencies on CCSD(T) and MRCI levels of theory (I have small dimers). It looks like it is impossible so far.

Am I right? Could you confirm my suspicions??

Best regards,

Pawel Wielgus


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