Posted by Shachar Klaiman on February 01, 2015 at 16:03:35:
Dear Molcas Experts,
It seems that when I calculate frequencies (&Mckinley) using numerical gradients I get only those which belong to the totally symmetric irrep. Is there a way to instruct the program to calculate all frequencies?
I am not sure if its important but I am using cholesky decomposition in &Seward and I checked (at rasscf level) with and without cholesky and saw the above behavior. The symmetry group I used is C2 (XY).
Thanks in advance.
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