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frequencies in MCSCF

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu


Dear all,

tried MCSCF optimization+freq in ground state, calculated frequencies but got huge amount of reversed magnitude frequencies, e.g. no negatives but after frequencies come close to zero they suddenly start increasing again. I bet it's because of MCSCF but not sure what it means or how to respond to it

see attached

Jonas

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[ weir_frequencies.zip ]


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