XSAPT + ai D3 error statistics for the IL16, AHB21, and CHB6 data sets are compiled in Table . For these calculations, monomer SCF wave functions are computed using the monomer basis set, in order to preclude any charge delocalization at the SCF level, although the dimer basis is still used for the δE HF calculations because ∆E HF int in eq. 4 needs to be counterpoise-corrected. Because the IL16 and AHB21 data sets contain anions, only basis sets containing diffuse functions are considered in these tests.