***,CH3NO, CASPT3(8,6)/aug-cc-pVTZ S0,2A' calculation (nO, nN, piNO, pi*NO, sigmaNO, sigma*NO)
memory,2000,m
file,2,nitroso_sa2cas6_avtz_2ap.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
6
CC3/aug-cc-pVTZ S0 optimised geometry
C -1.78426612  0.00000000 -1.07224050
N -0.00541753  0.00000000  1.08060391
O  2.18814985  0.00000000  0.43452135
H -0.77343975  0.00000000 -2.86415606
H -2.97471478  1.66801808 -0.86424584
H -2.97471478 -1.66801808 -0.86424584}

BASIS=AVTZ

INT

{MULTI
occ,11,3
closed,7,1
wf,24,1,0
state,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,24,1,0}

{RS3,shift=0.3
state,1,2
wf,24,1,0}

{RS3,shift=0.3,ipea=0.25
wf,24,1,0}

{RS3,shift=0.3,ipea=0.25
state,1,2
wf,24,1,0}
---