***,diazomethane, CASPT3(10,10)/aug-cc-pVTZ 1A1-3A1 calculation (complete valence pi active space+ sigma CN/NN+3p)
memory,2000,m
file,2,diazo_sa3cas10_avtz_3a1.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
5
CC3/aug-cc-pVTZ S0 optimised geometry
C  0.00000000   0.00000000  -2.30830005
N  0.00000000   0.00000000   0.14457890
N  0.00000000   0.00000000   2.29923216
H  0.00000000   1.79875201  -3.24272317 
H  0.00000000  -1.79875201  -3.24272317}

BASIS=AVTZ

INT

{MULTI
occ,9,4,3,0
closed,5,0,1,0
wf,22,1,0
state,3
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,22,1,0}

{RS3,shift=0.3
state,1,2
wf,22,1,0}

{RS3,shift=0.3
state,1,3
wf,22,1,0}

{RS3,shift=0.3,ipea=0.25
wf,22,1,0}

{RS3,shift=0.3,ipea=0.25
state,1,2
wf,22,1,0}

{RS3,shift=0.3,ipea=0.25
state,1,3
wf,22,1,0}
---