Theoretical study of C−H⋯H−B dihydrogen bonded complexes between inert molecules FNgCCH (Ng = Ar and Kr) and borane-amines

► C-H⋯H-B dihydrogen bonding ability of rare gas inserted FNgCCH molecules. ► Comparison of strength of hydrogen bond and dihydrogen bond for inert complexes. ► Dihydrogen bonding is 15% weaker as compare to hydrogen bonding.