***,furan, CASPT3(6,6)/aug-cc-pVTZ 1A1 and triplet 1A2 calculation including 3s
memory,2000,m
file,2,furan_sa2cas6_avtz_3a2.wfu
GEOMTYP=xyz
BOHR
GEOMETRY={
9
CC3/aug-cc-pVTZ S0 optimised geometry
C   0.00000000   2.06365826  -0.60051250
C   0.00000000  -2.06365826  -0.60051250
C   0.00000000   1.35348578   1.86336416
C   0.00000000  -1.35348578   1.86336416
O   0.00000000   0.00000000  -2.13945332
H   0.00000000   3.86337287  -1.53765695
H   0.00000000  -3.86337287  -1.53765695
H   0.00000000   2.59168789   3.47168051
H   0.00000000  -2.59168789   3.47168051}

BASIS=AVTZ

INT

{MULTI
occ,10,3,6,2
closed,9,0,6,0
wf,36,1,0
wf,36,4,2
canonical
print,orbitals,civector}

{RS3,shift=0.3
wf,36,1,0}

{RS3,shift=0.3
wf,36,4,2}

{RS3,shift=0.3,ipea=0.25
wf,36,1,0}

{RS3,shift=0.3,ipea=0.25
wf,36,4,2}
---