To benchmark our method, we used S66X8 dataset for its diversity of interaction types. The interaction energy curves from this data-set also help analyzing the effects of fragmentation as well as many-body effects. We have computed all single-point energies using def2-QZVPPD basis set. The underlying DF interaction energies are calculated as the difference between dimer and monomer energies. In this study, several exchange-correlation (XC) functionals including PBE, 52 PBE0, 53 B3LYP 54,55 and BHLYP are used. These XC functionals provide good approximations for short-range interactions. The mid-range and long-range part of correlation energy which constitutes vdW interaction can be computed as,