In solution, the agreement was not as good, but B97-3c still maintained an MAE of 1.6 kJ/mol, while the others ranged from 4.5 to 9.3 kJ/mol. B97-3c also maintained its speed advantage in solution, with an average of 368 core-seconds per single point energy. Having determined that B97-3c gives good energies and energy ordering at these previous DFT-optimized geometries, another important metric is its performance for geometry optimization, as typically, one would be using it to refine the geometries determined using semi-empirical (xTB) approaches. To test this performance, the optimized geometries of the six conformers of the pyrene dimer reported in our previous paper were reoptimized using B97-3c. Differences in geometry were quantified as the pairwise RMSD of atomic coordinates for each conformer before and after reoptimization. These values were quite small, averaging only 0.020 Å in the gas phase and 0.087 Å in solution, which indicates that B97-3c does a good job of reproducing the geometries found by ωB97X-D4/def2-TZVP. However, when single point energies for the B97-3c geometries were computed using ωB97X-D4/def2-TZVP at the B97-3c geometries, the computed energies were an average of 5.2 kJ/mol higher in energy in the gas phase, and 4.6 kJ/mol higher in solution. This indicates that while the B97-3c geometries are much better than those provided by GFN2-xTB, a final optimization using DFT is required to obtain accurate binding energies.