OrbPop

Specifies that (Mulliken type) population analysis should be printed for individual MOs, both on a per-SFO basis and on a per-bas function basis. The format of the subkey is as follows:

ORBPOP TOL=X Nocc Nunocc
SUBEND

X is the threshold for the SFO coefficient value to include in the listing for the per-SFO analysis. Nocc is the number of the highest occupied and Nunocc is the number of the lowest unoccupied orbitals to analyze.