Already with region 3', the DHAP VDD charge starts to converge to about -0.25, with only the region 5' value being off (see Fig. ). This indicates a better convergence behavior than in the distance-based case. Similarly, the sensitivity starts to slightly decrease with region 3' (see Fig. ). For the reaction energy, we can see a similar convergence behavior as in the distance-based case. Starting from region 2', the energy oscillates around the best estimate of about 9 kcal/mol, with an outlier for region 5' (see Fig. ).