***,acetone, CASPT3(6,7)/aug-cc-pVTZ 1A1,1B2,2B2 calculation including sigma and sigma* CO, 3s and 3pz
memory,2000,m
file,2,acet_sa3cas7_avtz_b2.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
10
CC3/aug-cc-pVTZ S0 optimised geometry
C   0.00000000   0.00000000   0.18807702
C   0.00000000   2.42007545  -1.31764698
C   0.00000000  -2.42007545  -1.31764698
O   0.00000000   0.00000000   2.48269094
H   0.00000000   4.03690733  -0.05185132
H   0.00000000  -4.03690733  -0.05185132
H   1.66061256   2.48420530  -2.53995285
H  -1.66061256   2.48420530  -2.53995285
H   1.66061256  -2.48420530  -2.53995285
H  -1.66061256  -2.48420530  -2.53995285}

BASIS=AVTZ

INT

{MULTI
occ,11,3,5,1
closed,7,1,4,1
wf,32,1,0
wf,32,3,0
state,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,32,1,0}

{RS3,shift=0.3
wf,32,3,0}

{RS3,shift=0.3
wf,32,3,0
state,1,2}

{RS3,shift=0.3,ipea=0.25
wf,32,1,0}

{RS3,shift=0.3,ipea=0.25
wf,32,3,0}

{RS3,shift=0.3,ipea=0.25
wf,32,3,0
state,1,2}
---