***,benzene, CASPT3(6,8)/aug-cc-pVTZ 1A1g,1A2u,1E2u calculation memory,2000,m file,2,benz_sa4cas8_avtz_e2u.wfu GEOMTYP=xyz BOHR GEOMETRY={ 12 CC3/aug-cc-pVTZ S0 optimised geometry C 0.00000000 2.63144965 0.00000000 C -2.27890225 1.31572483 0.00000000 C -2.27890225 -1.31572483 0.00000000 C 0.00000000 -2.63144965 0.00000000 C 2.27890225 -1.31572483 0.00000000 C 2.27890225 1.31572483 0.00000000 H -4.04725813 2.33668557 0.00000000 H -4.04725813 -2.33668557 0.00000000 H 0.00000000 -4.67337115 0.00000000 H 4.04725813 -2.33668557 0.00000000 H 4.04725813 2.33668557 0.00000000 H 0.00000000 4.67337115 0.00000000} BASIS=AVTZ INT {MULTI occ,6,5,6,3,2,1,2,1 closed,6,4,5,3,0,0,0,0 wf,42,1,0 wf,42,5,0 state,2 wf,42,8,0 canonical print,orbitals,civector} {RS3,shift=0.3 wf,42,1,0} {RS3,shift=0.3 wf,42,5,0} {RS3,shift=0.3 wf,42,5,0 state,1,2} {RS3,shift=0.3 wf,42,8,0} {RS3,shift=0.3,ipea=0.25 wf,42,1,0} {RS3,shift=0.3,ipea=0.25 wf,42,5,0} {RS3,shift=0.3,ipea=0.25 wf,42,5,0 state,1,2} {RS3,shift=0.3,ipea=0.25 wf,42,8,0} ---