In their paper, Xi et al. used aug-cc-pVXZ (where X = 2, 3, …) basis sets. However, it has been shown that for many calculations of thermochemistry and thermochemical kinetics, these basis sets contain many diffuse functions that have a relatively small effect on the calculation of several chemical properties. For efficient calculations, one wants to eliminate the least useful diffuse functions in a systematic way, and the calendar basis sets jul-cc-pVXZ and jun-cc-pVXZ were designed to do this. The jul-cc-pVXZ basis sets are constructed from their aug counterparts by removing all diffuse functions from hydrogen and helium. The jun-cc-pVXZ basis sets 32,33 remove these diffuse functions and also remove the the highest-angular-momentum diffuse function from atoms heavier than He. For example, an aug-pVTZ basis set for a hydrocarbon contains diffuse s, p, and d functions on each H and diffuse s, p, d, and f functions on each C. The jul-pVTZ basis set removes all the diffuse functions on H atoms, and the jun-cc-pVTZ basis set also removes the diffuse f functions on each carbon. The jul and jun basis sets are thus significantly smaller than their aug counterparts, the difference being more pronounced with the increase in system size.