For a point of comparison, we also computed the CT energies using a ∆SCF approach in conjunction with cDFT, a comparison that was also used in Ref. 11 to test the gas-phase RAS-SF CT procedure. With cDFT, both of the energies required for the ∆SCF calculation can be computed as ground-state DFT + PCM calcu- lations, and comparison to an equilibrium model of the solvent response is therefore appropriate.