With our benchmark binding energy calculations in hand, we assessed the performance of a cross-section of density functional theory methods and plotted the results in Figure 5. This graph shows the mean absolute error (MAE) for each DFT approach; B3LYP-D3(BJ)/6-31+G**-BSIP, which we used as part of our procedure to generate the complex structures, has a 0.44 kcal/mol MAE value, which suggests that the method was suitable for the geometry optimization step of our calculations. We also note that BLYP-D3(BJ)/6-31+G**-BSIP and M05/6-31+G** reproduce the binding energies most closely amongst all of the DFT approaches assessed (MAEs of 0.25 and 0.26 kcal/mol, respectively).