With an approach similar to the one used by Graaf et al., that is, the electron affinity calculated by a single d -shell active space and a single set of orbitals, both states behaves as our protocol without our protocol restriction. In this case, the optimization is made by an usual SA-CASSCF, where the orbitals have more freedom to be optimized. As a consequence, the user has less control over them, with only the weight among states as a parameter. The energy behavior and range of variation is the same as using our protocol, as shown in Figure ). Moreover, the point where both the relative energies are the same is also in the range of energies of our protocol, around 8.9