Name
ESR — Unpaired spin density on atoms will be calculated.
Description
The electron spin density is simply the alpha electron spin density minus the beta
electron spin density. When this keyword is specified, the spin density matrices in both MO
basis and the AO basis are printed along with the net Mulliken atomic electron spins, which
are calculated like Mulliken atomic electron populations except that the AO electron spin
density matrix is used instead of the AO total electron density matrix.
