CO(2+) Quintet CASSCF(8,8, Nroot=2)/Def2QZVPP alter7 9 1.4424 C=O stretch 926 cm-1 Natural orbitals

Name: CO(2+) Quintet CASSCF(8,8, Nroot=2)/Def2QZVPP alter7 9 1.4424 C=O stretch 926 cm-1 Natural orbitals
Creator: Imperial College London
Published: 2020-01-19T20:16:51+08:00