***,acetaldehyde, CASPT3(6,5)/aug-cc-pVTZ S0 and S1(n,pi*) calculation
memory,2000,m
file,2,acet_cas5_avtz.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
7
CC3/aug-cc-pVTZ S0 optimised geometry
C  -0.00234503  0.00000000  0.87125063
C  -1.75847785  0.00000000 -1.34973671
O   2.27947397  0.00000000  0.71968028
H  -0.92904537  0.00000000  2.73929404
H  -2.97955463  1.66046488 -1.25209463
H  -2.97955463 -1.66046488 -1.25209463
H  -0.70043433  0.00000000 -3.11066412}

BASIS=AVTZ

INT

{MULTI
occ,11,3
closed,8,1
wf,24,1,0
wf,24,2,0
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,24,1,0}

{RS3,shift=0.3
wf,24,2,0}

{RS3,shift=0.3,ipea=0.25
wf,24,1,0}

{RS3,shift=0.3,ipea=0.25
wf,24,2,0}
---