***,cyclopropenone, CASPT3(6,7)/aug-cc-pVTZ calculation of S0 and 3 B1 singlet states memory,2000,m file,2,cycloprop_sa4cas7_avtz_b1.wfu GEOMTYP=xyz BOHR GEOMETRY={ C 0.00000000 1.27491826 -1.86930519 C 0.00000000 -1.27491826 -1.86930519 C 0.00000000 0.00000000 0.51814554 O 0.00000000 0.00000000 2.79326776 H 0.00000000 2.92791371 -3.05679837 H 0.00000000 -2.92791371 -3.05679837} BASIS=AVTZ INT {MULTI occ,10,3,4,1 closed,8,0,3,0 wf,28,1,0 wf,28,2,0 state,3 canonical print,orbitals,civector} {RS3,shift=0.3 wf,28,1,0} {RS3,shift=0.3 wf,28,2,0} {RS3,shift=0.3 wf,28,2,0 state,1,2} {RS3,shift=0.3 wf,28,2,0 state,1,3} {RS3,shift=0.3,ipea=0.25 wf,28,1,0} {RS3,shift=0.3,ipea=0.25 wf,28,2,0} {RS3,shift=0.3,ipea=0.25 wf,28,2,0 state,1,2} {RS3,shift=0.3,ipea=0.25 wf,28,2,0 state,1,3} ---