SAPT-based energy decomposition analysis (EDA) was performed within the framework of density functional theory. The [MP2/aug-cc-pVTZ] geometries of the complexes were used. The SAPT theory dissects the interaction energy E_int (SAPT) of a complex into four major components: electrostatic (E _eles), exchange (E _exch), polarization/induction (E _ind), and dispersion (E _disp). As such,E_int (SAPT) is approximated by Eqn. 2, where the subscript, resp , indicates that the orbital relaxation effects are included. The termδ ⁽²⁾_HF takes into account higher-order induction effects and is included in the definition of SAPT terms. The details of each term used in Eqn. 2 are discussed elsewhere.^61,62 The PSI4 code was utilized.⁶²