$ELMOM

$ELMOM group (not required)

This group controls electrostatic moments calculation.

IEMOM =

0 - skip this property

1 - calculate monopole and dipole (default)

2 - also calculate quadrupole moments

3 - also calculate octupole moments

WHERE =

COMASS - center of mass (default)

NUCLEI - at each nucleus

POINTS - at points given in $POINTS.

OUTPUT =

PUNCH, PAPER, or BOTH (default)

IEMINT =

0 - skip printing of integrals (default)

1 - print dipole integrals

2 - also print quadrupole integrals

3 - also print octupole integrals

-2 - print quadrupole integrals only

-3 - print octupole integrals only

The quadrupole and octupole tensors on the printout are formed according to the definition of Buckingham. Caution: only the first nonvanishing term in the multi- ipole charge expansion is independent of the coordinate origin chosen, which is normally the center of mass.