[molpro-user] pseudo canonical orbitals

Kaveh Haghighi Mood haghighi at pc.rwth-aachen.de
Fri Sep 5 09:29:33 BST 2014

Dear all,

Molpro prints out pseudo canonical orbitals after MCSCF calculation with 
energies. In HF method orbital energies are
Fock operator. I what to know what are this printed numbers and is it 
possible to print those also for external (not optimized virtual)

Any clarification is highly appreciated.

Kaveh Haghighi Mood

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