***,propynal, CASPT3(8,7)/aug-cc-pVTZ 1Ap and triplet 1As calculation
memory,2000,m
file,2,propyn_sa2cas7_avtz_3as.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
6
CC3/aug-cc-pVTZ S0 optimised geometry
C  -0.78051115   0.00000000  -1.38900384
C  -0.17873562   0.00000000   1.27825868
C   0.23763714   0.00000000   3.52644798
O   0.80143996   0.00000000  -3.04628328
H  -2.80713069   0.00000000  -1.82768750
H   0.64026209   0.00000000   5.48853193}

BASIS=AVTZ

INT

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

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

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

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

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