For the resting state intermediate (1), we find that high-spin (HS) quintet is the preferred ground-state irrespective of the amount of Hartree-Fock exchange in the functional (Table ). However, closer inspection reveals that the difference in energetics between the HS and intermediate-spin (IS) states is high at higher aHF, while at aHF = 0.00, both HS and IS states are comparable in energy (differ by ca. 1 kcal/mol, Table ).