Manganese exists in different oxidation states in the intermediates formed during a catalytic cycle . The presence of unpaired d electrons indicates a possibility of multiple spin states for each intermediate. While most experimental studies agree upon the coarse details of the mechanism, these studies disagree in terms of the oxidation state of manganese and the charge of the intermediates . Additionally, the literature on identifying the ground spin states of each of these intermediates in the catalytic cycle is sparse. A few computational studies considered some but not all the possible spin states for these intermediates . The role of ground spin state is crucial because the reactivity of transition metal catalysts is known to be strongly spin-state dependent with several molecular catalysts as well as enzymes preferring high-spin (HS) intermediates during the reaction .