The protonation and reduction reaction energies from GFN2-xTB and def2-TZVP/PBE calculations on the final population of [96, 70] molecules are compared in Figure . There is a clear Pearson correlation observed with Pearson correlation coefficients above 0.6 for all cases. It is not an ideal correlation, but it is sufficient to demonstrate the capability of the GA to rapidly search through thousands of catalysts that perform well at higher levels of theory with methods that require only a fraction of the computational cost compared to higher level methods.