***,thiopropynal, CASPT3(8,7)/aug-cc-pVTZ 1Ap,1As calculation
memory,2000,m
file,2,thioprop_sa2cas7_avtz_as.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
6
CC3/aug-cc-pVTZ S0 optimised geometry
C  -0.00382924   0.00000000  -1.25249909
C  -2.27832423   0.00000000   0.15152736
C  -4.26309583   0.00000000   1.29548793
S   2.81920288   0.00000000  -0.00828974
H  -0.23056990   0.00000000  -3.28862183
H  -5.97712967   0.00000000   2.33206931}

BASIS=AVTZ

INT

{MULTI
occ,16,5
closed,13,1
wf,36,1,0
wf,36,2,0
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,36,1,0}

{RS3,shift=0.3
wf,36,2,0}

{RS3,shift=0.3,ipea=0.25
wf,36,1,0}

{RS3,shift=0.3,ipea=0.25
wf,36,2,0}
---