***,triazine, CASPT3(12,9)/aug-cc-pVTZ 1A1',1A1''(n,pi*),1A2''(n,pi*),1E''(n,pi*) calculation memory,2000,m file,2,triaz_sa5cas9_avtz_es.wfu GEOMTYP=xyz BOHR GEOMETRY={ 9 CC3/aug-cc-pVTZ S0 optimised geometry C 0.00000000 -2.11414732 -1.22060353 C 0.00000000 0.00000000 2.44120705 C 0.00000000 2.11414732 -1.22060353 N 0.00000000 -2.24624733 1.29687150 N 0.00000000 2.24624733 1.29687150 N 0.00000000 0.00000000 -2.59374300 H 0.00000000 3.88296710 -2.24183210 H 0.00000000 -3.88296710 -2.24183210 H 0.00000000 0.00000000 4.48366420} BASIS=AVTZ INT {MULTI occ,11,4,7,2 closed,9,0,6,0 wf,42,1,0 wf,42,2,0 state,2 wf,42,4,0 state,2 canonical print,orbitals,civector} {RS3,shift=0.3 wf,42,1,0} {RS3,shift=0.3 wf,42,2,0} {RS3,shift=0.3 wf,42,2,0 state,1,2} {RS3,shift=0.3 wf,42,4,0} {RS3,shift=0.3 wf,42,4,0 state,1,2} {RS3,shift=0.3,ipea=0.25 wf,42,1,0} {RS3,shift=0.3,ipea=0.25 wf,42,2,0} {RS3,shift=0.3,ipea=0.25 wf,42,2,0 state,1,2} {RS3,shift=0.3,ipea=0.25 wf,42,4,0} {RS3,shift=0.3,ipea=0.25 wf,42,4,0 state,1,2} ---