***,pyridazine, CASPT3(6,6)/aug-cc-pVTZ 1A1,2B2(pi,pi*),3B2(pi,pi*) calculation
memory,2000,m
file,2,pyrid_sa3cas6_avtz_b2.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
10
CC3/aug-cc-pVTZ S0 optimised geometry
C 0.00000000  1.30150855 -2.31552865
C 0.00000000 -1.30150855 -2.31552865
C 0.00000000  2.49271907  0.03513416
C 0.00000000 -2.49271907  0.03513416
N 0.00000000  1.26228251  2.23104685
N 0.00000000 -1.26228251  2.23104685
H 0.00000000  4.52804172  0.19299731
H 0.00000000 -4.52804172  0.19299731
H 0.00000000  2.39011496 -4.03967703
H 0.00000000 -2.39011496 -4.03967703}

BASIS=AVTZ

INT

{MULTI
occ,10,3,8,3
closed,10,0,8,0
wf,42,1,0
wf,42,3,0
state,2
canonical
print,orbitals,civector}

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

{RS3,shift=0.3
wf,42,3,0}

{RS3,shift=0.3
wf,42,3,0
state,1,2}

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

{RS3,shift=0.3,ipea=0.25
wf,42,3,0}

{RS3,shift=0.3,ipea=0.25
wf,42,3,0
state,1,2}
---