***,pyrazine, CASPT3/aug-cc-pVTZ 1Ag,1B1u-3B1u calculation adding three 3px
memory,2000,m
file,2,pyrazine_sa4cas9_b1u.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
10
CC3/aug-cc-pVTZ S0 optimised geometry
N -0.00000000  0.00000000 -2.66620111
N  0.00000000  0.00000000  2.66620111
C -0.00000000  2.13188686 -1.31510863
C -0.00000000 -2.13188686 -1.31510863
C  0.00000000  2.13188686  1.31510863
C  0.00000000 -2.13188686  1.31510863
H -0.00000000  3.88751412 -2.35234226
H -0.00000000 -3.88751412 -2.35234226
H  0.00000000  3.88751412  2.35234226
H -0.00000000 -3.88751412  2.35234226}

BASIS=AVTZ

INT

{MULTI
occ,6,4,4,1,5,2,3,2
closed,6,0,4,0,5,0,3,0
wf,42,1,0
wf,42,5,0
state,3
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,42,1,0}

{RS3,shift=0.3
wf,42,5,0}

{RS3,shift=0.3
wf,42,5,0
state,1,2}

{RS3,shift=0.3
wf,42,5,0
state,1,3}

{RS3,shift=0.3,ipea=0.25
wf,42,1,0}

{RS3,shift=0.3,ipea=0.25
wf,42,5,0}

{RS3,shift=0.3,ipea=0.25
wf,42,5,0
state,1,2}

{RS3,shift=0.3,ipea=0.25
wf,42,5,0
state,1,3}
---