***,Glyoxal, CASPT3(14,12)/aug-cc-pVTZ 1Ag and triplet 1Au calculation
memory,8000,m
file,2,glyoxal_sa2cas12_avtz_3au.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
6
CC3/aug-cc-pVTZ S0 optimised geometry
C  1.21360282  0.75840215 0.00000000
C -1.21360282 -0.75840215 0.00000000
O  3.25581408 -0.26453186 0.00000000
O -3.25581408  0.26453186 0.00000000
H  0.96135276  2.81883243 0.00000000
H -0.96135276 -2.81883243 0.00000000}

BASIS=AVTZ

INT

{MULTI
occ,8,2,8,2
closed,4,0,4,0
wf,30,1,0
wf,30,2,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,30,1,0}

{RS3,shift=0.3
wf,30,2,2}

{RS3,shift=0.3,ipea=0.25
wf,30,1,0}

{RS3,shift=0.3,ipea=0.25
wf,30,2,2}
---