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27.2 Occupied orbitals

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

$n_i$ specifies numbers of occupied orbitals (including CORE) in irreducible representation number $i$. If not given, the default is the complete basis set.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002