a w.CB means with complex basis functions in monomer calculations. (-f) means polarization functions of f angular moment of main group elements are removed for reducing cost. ma-prefix denotes the minimally augmented strategy of adding diffuse functions. b Mean error (ME), mean absolute error (MAE) and maximum error (maxE) of interaction energies calculated for S66 set with respect to the reference data at CCSD(T)/CBS level. Data are in kcal/mol. c Mean absolute percentage error (MAPE, in %) and maximum absolute percentage error (maxAPE, in %) of ∆Edisp/∆Eels derived by sobEDAw for S66 set with respect to the reference data derived by DFT-SAPT in S66 original paper. The fitted c, a, r parameters used in evaluating ∆Edisp of sobEDAw are given together. d Wall time consumed for performing sobEDAw analysis for adenine•••thymine base pair (14+16 atoms) and for C18@OPP complex (18+224 atoms) via sobEDA.sh script on dual AMD EPYC 7R32 server (96 cores).