Fig. 3. Protonation patterns, oxidation states, Mn–Mn distances (Å), relative total energies (kcal mol^–1), and ground spin states for the S₂H models. Blue lines indicate the orientation of Jahn–Teller axes. The superscripts (3H⁺ and 4H⁺) indicate the total number of protons assigned to the groups W1, W2, O4, and O5, and serve to separate the models into isomer subsets for meaningful energy comparisons.