Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

SPIN

The spin matrix, defined as the difference between the alpha and beta density matrices, is to be printed. If the system has a closed-shell ground state, e.g. methane run UHF, the spin matrix will be null.

If SPIN is not requested in a UHF calculation, then the diagonal of the spin matrix, that is the spin density on the atomic orbitals, will be printed.