Examination of the free energy contributions reveals that average free energy corrections to DEH-L are comparable for all aHF values, ca. -6.0 kcal/mol (Supporting Information Table and Figure ). Zero-point energy (ZPE), thermal vibrational energy, electronic (Selec), rotational ). For the overall free energy corrections, a few outliers are observed with values more than -3 kcal/mol or less than -10 kcal/mol, strongly stabilizing LS and HS states, respectively (Supporting Information Figure ). The outliers with free energy corrections < -10 kcal/mol are always hexakis monodentate complexes while those with free energy corrections more than -3 kcal/mol mostly have ligands with higher denticities (Supporting Information Figure and Table ). Free energy corrections to DEH-L are significant enough to alter which complexes are predicted to display SCO behavior, but they are not strongly dependent on the functional or, except for outlier cases, on the molecule. Thus, two potential strategies for rapid SCO screening would be to use predictions of electronic energies at a higher exchange fraction (i.e., aHF = 0.15 ) or using a lower exchange fraction (i.e., aHF = 0.10) with a heuristic free energy correction. Nevertheless, given the presence of outliers in the free energy corrections, full characterization of the vibrational contribution is warranted to assess candidate SCOs.