***,cyanoformaldehyde, CASPT3(8,7)/aug-cc-pVTZ 1Ap,1As,2As calculation
memory,2000,m
file,2,cyanof_sa3cas7_avtz_as.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
5
CC3/aug-cc-pVTZ S0 optimised geometry
C  -0.91561483   0.00000000  -1.22522833
C  -0.01092219   0.00000000   1.39523175
N   0.64170259   0.00000000   3.48820325
O   0.50833684   0.00000000  -3.00337867
H  -2.97202213   0.00000000  -1.42565674}

BASIS=AVTZ

INT

{MULTI
occ,13,4
closed,10,0
wf,28,1,0
wf,28,2,0
state,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,28,1,0}

{RS3,shift=0.3
wf,28,2,0}

{RS3,shift=0.3
wf,28,2,0
state,1,2}

{RS3,shift=0.3,ipea=0.25
wf,28,1,0}

{RS3,shift=0.3,ipea=0.25
wf,28,2,0}

{RS3,shift=0.3,ipea=0.25
wf,28,2,0
state,1,2}
---