20.2.3 Closed-shell orbitals

CLOSED, $n_1,n_2,\ldots,n_8$

$n_i$ is the number of closed-shell orbitals in irrep number $i$, inclusive of any CORE orbitals. These orbitals do not form part of the active space, i.e., they are doubly occupied in all CSFs. In contrast to the core orbitals (see CORE), these orbitals are fully optimized. Please note that the program output sometimes says CORE when it means CLOSED, and FROZEN when it means CORE (historical reasons).

If the CLOSED card is omitted, then the data defaults to that of the most recent MCSCF calculation, or else the atomic inner shells as described above for CORE.