[molpro-user] Excited State Vibrational Frequencies with MCSCF
Alan Chien
alandc at umich.edu
Tue Oct 7 22:21:46 BST 2014
Hello,
I was wondering if there was a way to obtain vibrational frequencies for
excited states when running an MCSCF calculation.
The CPMCSCF,hess directive doesn't seem to allow for state specification,
and the manual makes no mention of excited state vibrational calculations.
Any input appreciated,
Alan Chien
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