***,h2o properties
geometry={o;h1,o,r;h2,o,r,h1,theta}   !Z-matrix geometry input
r=1 ang                               !bond length
theta=104                             !bond angle
gexpec,dm,sm,qm                       !compute dipole and quarupole moments
$methods=[hf,multi,ci]                !do hf, casscf, mrci
do i=1,#methods                       !loop over methods
$methods(i)                           !run energy calculation
e(i)=energy
dip(i)=dmz                            !save dipole moment in variable dip
quadxx(i)=qmxx                        !save quadrupole momemts
quadyy(i)=qmyy
quadzz(i)=qmzz
smxx(i)=xx                            !save second momemts
smyy(i)=yy
smzz(i)=zz
enddo
table,methods,dip,smxx,smyy,smzz        !print table of first and second moments
table,methods,e,quadxx,quadyy,quadzz    !print table of quadrupole moments