While analysis of DEH-L indicated modB3LYP (aHF = 0.15) correctly predicts SCO behavior for 97% of the complexes, for the experimentally relevant DGH-L, modB3LYP with a lower aHF (0.10) better predicted SCO behavior, correctly assigning 93% of the complexes. While the Gibbs free energy contributions shift DEH-L to favor HS states by ca. -6 kcal/mol on an average, individual corrections vary significantly for some complexes, emphasizing the importance of evaluating these contributions for every complex.