To show that our conclusions regarding the effect of vdW-induced polarization on the NCI analysis are also not specific to the choice of DFA, we performed test calculations using the HF densities. The HF and HF+MBD results displayed in Figure manifest essentially the same differences as in the case of PBE and PBE+MBD (Figure of the main text), supporting our point. V. NCI ANALYSIS: COMPUTATIONAL DETAILS