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20.2.1 Occupied orbitals

OCC, $n_1,n_2,\ldots,n_8$;

$n_i$ specifies numbers of occupied orbitals (including CORE and CLOSED) in irreducible representation number $i$. If not given, the information defaults to that from the most recent SCF, MCSCF or CI calculation.


molpro@molpro.net 2017-12-11