The widely used B3LYP-D3(BJ) is not a well-suited choice for all situations. For example, we have shown that B3LYP is unable to qualitatively correctly represent geometry of cyclo [18]carbon, and thus B3LYP-D3(BJ) cannot be used with sobEDAw for studying interactions containing this species; in contrast, functionals with high HF composition like BHandHLYP and M06-2X works well for cyclo [18]carbon.