***,trans-butadiene, CASPT3(10,10)/aug-cc-pVTZ 1Ag, triplet 1Bu calculation
memory,2000,m
file,2,buta_sa2cas10_avtz_3bu.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
10
CC3/aug-cc-pVTZ S0 optimised geometry
C  1.14656244 0.00000000  0.75468820
C -1.14656244 0.00000000 -0.75468820
C  3.48132647 0.00000000 -0.22482805
C -3.48132647 0.00000000  0.22482805
H  0.90770978 0.00000000  2.78883925
H -0.90770978 0.00000000 -2.78883925
H  3.77525814 0.00000000 -2.24895470
H -3.77525814 0.00000000  2.24895470
H  5.13664967 0.00000000  0.96861890
H -5.13664967 0.00000000 -0.96861890}

BASIS=AVTZ

INT

{MULTI
occ,8,2,8,2
closed,5,0,5,0
wf,30,1,0
wf,30,3,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,30,1,0}

{RS3,shift=0.3
wf,30,3,2}

{RS3,shift=0.3,ipea=0.25
wf,30,1,0}

{RS3,shift=0.3,ipea=0.25
wf,30,3,2}
---