Frequencies

Posted by M Straka on December 07, 2000 at 14:13:27:

I am not able to get frequencies from molcas 4.1
calculation, doing everything as written
in tutorial book.
Could someone help me?
Michal

PS I run geo opt then i take the geometry, and run it
with gain with iterations = 0 an Numerical Hessian.
It only says geometry
converged...

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• Re: Frequencies Roland Lindh 22:45:22 12/11/00 (0) 62.20.165.22

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: I am not able to get frequencies from molcas 4.1 : calculation, doing everything as written : in tutorial book. : Could someone help me? : Michal : PS I run geo opt then i take the geometry, and run it : with gain with iterations = 0 an Numerical Hessian. : It only says geometry : converged...