***,pyridine, CASPT3(8,8)/aug-cc-pVTZ 1A1,1A2(n,pi*),2A2(pi,3s) calculation adding 3s orbital
memory,2000,m
file,2,pyrid_sa3cas8_avtz_a2.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
11
CC3/aug-cc-pVTZ S0 optimised geometry
C   0.00000000   0.00000000 -2.66451139
C   0.00000000   2.25494985 -1.32069889
C   0.00000000  -2.25494985 -1.32069889
C   0.00000000   2.15398594  1.30669632
C   0.00000000  -2.15398594  1.30669632
N   0.00000000   0.00000000  2.62778932
H   0.00000000   0.00000000 -4.70641516
H   0.00000000   4.05768507 -2.27625442
H   0.00000000  -4.05768507 -2.27625442
H   0.00000000   3.88059079  2.40341581
H   0.00000000  -3.88059079  2.40341581}

BASIS=AVTZ

INT

{MULTI
occ,12,4,7,2
closed,10,0,7,0
wf,42,1,0
wf,42,4,0
state,2
canonical
print,orbitals,civector}

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

{RS3,shift=0.3
wf,42,4,0}

{RS3,shift=0.3
wf,42,4,0
state,1,2}

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

{RS3,shift=0.3,ipea=0.25
wf,42,4,0}

{RS3,shift=0.3,ipea=0.25
wf,42,4,0
state,1,2}
---