[molpro-user] CASSCF optimization using frozen core for open shell molecule

Thomas Vent-Schmidt vent-schmidt.thomas at gmx.de
Wed Jun 18 09:44:31 BST 2014

Dear users,

I want to do a CASSCF/CASPT2 optimization applying frozen core orbitals for an open-shell molecule. I had some problems to set up the input. Anyone an idea how to do correctly?

Thanks a lot,

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