***,cyclopentadiene, CASPT3(4,5)/aug-cc-pVTZ 1A1,triplet 1B1 calculation
memory,2000,m
file,2,cyclop_sa2cas5_avtz_3b1.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
11
CC3/aug-cc-pVTZ S0 optimised geometry
C  0.00000000  0.00000000 -2.33113051
C  0.00000000  2.22209092 -0.56871188
C  0.00000000 -2.22209092 -0.56871188
C  0.00000000  1.38514451  1.83772922
C  0.00000000 -1.38514451  1.83772922
H  1.66130504  0.00000000 -3.56414299
H -1.66130504  0.00000000 -3.56414299
H  0.00000000  4.16550405 -1.18116624
H  0.00000000 -4.16550405 -1.18116624
H  0.00000000  2.54514584  3.51352303
H  0.00000000 -2.54514584  3.51352303}

BASIS=AVTZ

INT

{MULTI
occ,9,3,7,2
closed,9,1,6,0
wf,36,1,0
wf,36,2,2
canonical
print,orbitals,civector}

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

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

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

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