***,imidazole, CASPT3(8,10)/aug-cc-pVTZ 1A',1A''-7A'' calculation
memory,3000,m
file,2,imid_sa8cas10_avtz_as.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
9
CC3/aug-cc-pVTZ S0 optimised geometry
C   0.41662795   2.06006259   0.00000000
C  -1.52618386  -1.62343163   0.00000000
C   1.04160471  -1.93007427   0.00000000
N  -1.90345764   0.94914956   0.00000000
N   2.24215443   0.38083431   0.00000000
H   0.65501634   4.07748278   0.00000000
H  -3.57500545   1.84103166   0.00000000
H  -3.06363894  -2.94559167   0.00000000
H   2.08673940  -3.67001102   0.00000000}

BASIS=AVTZ

INT

{MULTI
occ,18,6
closed,14,0
wf,36,1,0
wf,36,2,0
state,7
canonical
print,orbitals,civector}

{RS3,shift=0.3,maxiti=500
wf,36,1,0}

{RS3,shift=0.3,maxiti=500
wf,36,2,0}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,2}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,3}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,4}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,5}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,6}

{RS3,shift=0.3,maxiti=500
wf,36,2,0
state,1,7}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,1,0}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,2}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,3}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,4}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,5}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,6}

{RS3,shift=0.3,ipea=0.25,maxiti=500
wf,36,2,0
state,1,7}
---