Finally, we considered the trade-off between ΔE(HAT) and ΔE(oxo) and identified catalyst candidates along the ΔE(oxo) and ΔE(HAT) Pareto frontier through reaction energetics assessments. Owing to weak BEP relations over this set, we found that points close to but not on the Pareto frontier had superior kinetic properties. Our kinetic analysis on the best-trade-off subset of SACs results recommended that the following two codoped SACs hold great promise for methane-to-methanol conversion: C: IS 6-membered Fe(II)(cis N2O2) SAC and D: LS 5membered Ru(II)(14-16 N4-N2) SAC. Overall, our analysis of codoped SACs indicated the performance of SAC active sites is strongly influenced by both first and second coordination sphere element identities as well as by the local geometric structures they favor. By strategically engineering the local coordination environment, not just in the first coordination sphere but also the second, there are untapped opportunities to fine-tune the energetics of the HAT and oxo formation steps that normally are expected to have a steep tradeoff. Among the codoped SACs studied, we identify SAC candidates with promising reaction energetics, kinetics and turnover frequencies for methane-to-methanol catalysis, warranting further experimental exploration. Coordinates of structures from the codoped SACs dataset; coordinates of reference molecules; total electronic energies for codoped SACs dataset; reaction energies for each step in the codoped SACs dataset. (ZIP)