***,formamide, CASPT3(10,10)/aug-cc-pVTZ 1A'-4A' calculation (including valence pi, n(O), 3s and 3p)
memory,2000,m
file,2,formamide_sa4cas10_avtz_ap.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
6
CC3/aug-cc-pVTZ S0 optimised geometry
C   0.00183118   0.00000000   0.79313299
O   2.26817156   0.00000000   0.43918824
N  -1.76886033   0.00000000  -1.06219243
H  -0.84133459   0.00000000   2.68872485
H  -1.21254414   0.00000000  -2.87596907
H  -3.61627502   0.00000000  -0.65031317}

BASIS=AVTZ

INT

{MULTI
occ,14,3
closed,7,0
wf,24,1,0
state,4
canonical
print,orbitals,civector}

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

{RS3,shift=0.3
state,1,2
wf,24,1,0}

{RS3,shift=0.3
state,1,3
wf,24,1,0}

{RS3,shift=0.3
state,1,4
wf,24,1,0}

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

{RS3,shift=0.3,ipea=0.25
state,1,2
wf,24,1,0}

{RS3,shift=0.3,ipea=0.25
state,1,3
wf,24,1,0}

{RS3,shift=0.3,ipea=0.25
state,1,4
wf,24,1,0}
---