In the final example, we study variation of various terms of sobEDA with respect to change in the spacing between CH3 and CN radical fragments in CH3CN. The data obtained at B3LYP-D3(BJ)/def2-TZVP level are collectively plotted in Fig. . It is noteworthy that starting from elongation of C-C bond of 1.2 Å, the converged wavefunction of final state of sobEDA analysis is in broken-symmetry state, which makes the dissociation curve have a correct asymptotic behavior. From Fig. we can see magnitude of each energy component gradually decreases as the spacing between the two fragments increases. Orbital interaction plays a major role in the binding, followed by electrostatic interaction, and then exchange interaction. Among them, the orbital interaction decays relatively slowly. When the distance between the fragments is more than 0.5 Å relative to equilibrium position, the interfragment attraction is almost solely contributed by the orbital interaction. Regardless of the interfragment distance, the contribution of the DFT correlation energy to the binding is quite inapparent, and the dispersion correction term is fully negligible relative to the magnitude of the other terms, suggesting that dispersion effect little affects the formation of CH3-CN. It can also be seen from the figure that the Pauli repulsion is the only source of mutual exclusion between CH3 and CN. From this example, it is clear that sobEDA is completely suitable for studying the interaction at non-equilibrium structures and may also be used to reveal the driving forces and hindering factors in chemical or physical processes to provide an in-depth perspective.