Interestingly, an increase in MD can still coincide with reduced deviation spans. For instance, despite an increase of 0.11 eV in the MD when going from TD-to TDA-BHLYP, we observe a decrease in the deviation span of 1.01 eV (see SI). Other notable reductions in the deviation span of about 0.5 eV or more for the TDA are observed for B2PLYP, SOS-B2PLYP, ωB2PLYP, and SOS-ωB2PLYP. While deviation spans are only marginally affected by the TDA for a large number of functionals, the largest increase of 0.16 eV is observed for B2GP-PLYP (see SI).