q ν i ν f sum q 00 0.985 0.9851 q 01 0.015 1.0000 q 02 0.000 1.0000 q 03 0.000 1.0000 Numerical solution of the quantum vibrational problem using spin-orbit perturbed EOM-EA-CCSD potential energy surfaces. Energy (eV) ground 1 2 Σ and for ground 1 2 ∆ cations, as well as a three level scheme involving the second excited 1 2 Π state. We present the best candidates in each of these groups in Fig. ; Table summarizes the corresponding FCFs.