CASSCF+CI+Q Energies, C2, vtz basis R E(1Sig+) E(3Pi) 2.0 -75.70734621 -75.65257232 2.1 -75.74915153 -75.70937350 2.2 -75.77328555 -75.74659061 2.3 -75.78432414 -75.76904638 2.4 -75.78579839 -75.78045799 2.5 -75.78044496 -75.78369362 2.6 -75.77039973 -75.78096851 2.7 -75.75735281 -75.77399318 2.8 -75.74268486 -75.76408539 2.9 -75.72760016 -75.75225511 3.0 -75.71319478 -75.73926998