Adenine and thymine molecules can form two representative dimer configurations, which are respectively dominated by H-bond and π-π stacking effects. Fig. shows their geometries, which were optimized at MP2/cc-pVTZ level in S22 set. Based on these structures, we performed sobEDAw analysis at B3LYP-D3(BJ)/6-311+G(2d,p) w.CB level, the results are given in Table , the corresponding SAPT2+3(CCD)/augcc-pVTZ data provided in BioFragment Database (BFDb) are also listed for comparison purpose. The reference interaction energies for H-bond and stacked configurations evaluated using CCSD(T)/CBS are -16.37 and -12.23 kcal/mol, respectively. From the table it can be seen that the total interaction energies of sobEDAw are quite close to the reference values, and ∆Edisp/∆Eels ratios given by sobEDAw are in excellent agreement with those by the robust while fairly expensive SAPT2+3(CCD) calculations. Furthermore, we find that the values of the four physical components ∆Eels, ∆Exrep, ∆Eorb and ∆Edisp of sobEDAw well correspond to the ∆Eels, ∆Eexch (exchange), ∆Eind (induction) and ∆Edisp of the SAPT2+3(CCD), respectively.