From equation 6 we find E ads (2) = -0.977 eV, E ads (4) = -0.868 eV, and E ads (2 → 4) = -0.759 eV at 298.15 K, where E ads (2 → 4) is the adsorption energy per hydrogen going from our Pt 13 H 2 ensemble to that of our Pt 13 H 4 ensemble. This is significantly larger than the comparable literature values shown in table implying either (1) xTB is over-binding H atoms, (2) Pt 13 NP binds more strongly than the structures we show in the comparable literature, (3) the use GMs instead of the typical high symmetry LMs leads to a more realistic and tighter binding, or (4) some combination of 1, 2, or 3.