Ref. 1 reports convergence problems in the presence of diffuse functions but these are artifacts of inappropriate thresholds. The most important of these is τ shlpr but for consistency we always set τ ints = τ shlpr ; let us denote this mutual threshold as τ thresh . The setting τ thresh = 10 -8 a.u. that is used in Ref. 1, reflecting the default for single-point energy calculations in Q-Chem v. 5.4.2, is inappropriate for medium-size molecules, sometimes affording an ostensibly paradoxical situation in which tightening τ thresh reduces the calculation time. This is because the modest increase in the cost of a Fock build (as τ thresh is reduced) is compensated by rapid and robust convergence due to superior handling of numerical linear dependencies. Using a convergence criterion τ SCF = 10 -8 E h , we are unable to converge SCF calculations for C 41 H 50 O 6 N 4 within 100 cycles, using any threshold τ thresh > 10 -11 a.u. for 6-311+G(2df,p) and def2-ma-TZVP, or τ thresh > 10 -12 a.u. for def2-TZVPD. Loose thresholds are likely the reason for convergence problems reported elsewhere, 62 for ωB97M-V/ def2-SVPD calculations on large van der Waals complexes.