[molpro-user] frequencies for SA-CASSCF

Evgeniy Gromov Evgeniy.Gromov at tc.pci.uni-heidelberg.de
Thu Sep 9 17:34:05 BST 2004

Dear All,

I would very appreciate if somebody knows
whether it is possible to calculate frequencies
for SA-CASSCF wave function, especially for excited states?
The problem is how to calculate hessian (either analytically
or using differentiating gradients).

Best regards,

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