(20 out of 95) of the complexes as predicted by M06-L and only for a few complexes as predicted by TPSSh (2 out of 95) or modB3LYP (4 out of 95) functionals (Supporting Information Table ). On the other hand, larger T1/2 predictions (> 800 K), which are a result of relatively smaller ). A similar picture holds based on percentile rank and even qualitative ranking of T1/2 values remains a challenging test for DFA performance (Supporting Information Text S4).