Benchmark interaction energies (in kcal mol⁻¹) of SA@6CT and AA@6CT complexes at different level of density functional theory.

Complexes	M052X			M062X
	6-31G (d,p)	6-31+G (d,p)	6-311+G (d,p)		6-31G (d,p)	6-31+G (d,p)	6-311+G (d,p)
Li@6CT	−41.07	−40.29	−41.90		−39.54	−38.85	−40.44
Li3O@6CT	−76.60	−71.86	−70.34		−72.76	−67.66	−67.37
Na@6CT	−35.59	−35.10	−36.58		−33.41	−32.94	−34.53
Na3O@6CT	−64.41	−59.67	−61.95		−60.90	−56.18	−58.54
K@6CT	−40.51	−39.83	−42.19		−39.34	−38.72	−41.11
K3O@6CT	−71.19	−61.45	−60.82		−73.76	−64.29	−66.06