TOTAL ENERGY = -3352.87779 EV STATE: 1 SINGLET A1 1+ 0.000000 0.000000 1+ SINGLET A1 3 2.267152 2.267152 1 SINGLET B2 7 3.392307 3.392307 2 SINGLET A1 0.2381 0.0016 0.1997 8 3.669046 3.669046 2 SINGLET B2 2.0397 0.0128 2.3824 9 3.871526 3.871526 3 SINGLET A1 1.8047 0.0108 1.5282 2 1.914999 1.914999 1 TRIPLET B2 4 2.464395 2.464395 2 TRIPLET B2 5 2.826219 2.826219 1 TRIPLET A1 6 3.364688 3.364688 2 TRIPLET A1