***,streptocyanine, CASPT3(8,7)/aug-cc-pVTZ calculation of S0 and triplet 1B2 (valence pi + sigma CN)
memory,2000,m
file,2,strepto_sa2cas7_avtz_3b2.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
C    0.00000000    0.00000000    0.80488833
N    0.00000000    2.19423463   -0.33580561
N    0.00000000   -2.19423463   -0.33580561
H    0.00000000    0.00000000    2.84436959
H    0.00000000    2.36978315   -2.23371976
H    0.00000000   -2.36978315   -2.23371976
H    0.00000000    3.79412648    0.69399206
H    0.00000000   -3.79412648    0.69399206}

BASIS=AVTZ

INT

{MULTI
occ,7,2,5,1
closed,5,0,3,0
wf,24,1,0
wf,24,3,2
canonical
print,orbitals,civector}

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

{RS3,shift=0.3
wf,24,3,2}

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

{RS3,shift=0.3,ipea=0.25
wf,24,3,2}
---