basis=aug-cc-pVTZ
r = 2.3
geometry={O1; O2,O1,r}

!------- Ground state, triplet sigma gerade minus
{RHF; WF, NELEC=16, SYMMETRY=4, SPIN=2; CLOSED, 3,1,1,0,2,0,0,0;OPEN, 1.6,1.7}
Ground(1)=energy

{MCSCF}
Ground(2)=energy

{MRCI}
Ground(3)=energy

!------- Second excited state, singlet sigma gerade plus
{RHF; WF, NELEC=16, SYMMETRY=1, SPIN=0; OCC, 3,1,1,0,2,1,0,0;}
Excited(1)=energy

{MCSCF; LQUANT,0; WF, NELEC=16, SYMMETRY=1, SPIN=0}
Excited(2)=energy

{MRCI; WF, NELEC=16, SYMMETRY=1, SPIN=0}
Excited(3)=energy

show (Excited(1)-Ground(1))*219474.631
show (Excited(2)-Ground(2))*219474.631
show (Excited(3)-Ground(3))*219474.631
---

