Table 3. Binding (E_b) and Interaction Energies (E_int) (kcal/mol) of ZF₃ Complexes with HCN and CN^– Calculated at the MP2/aug-cc-pVDZ (I) and CCSD(T)/aug-cc-pVDZ (II) Levels of Theory^a.

	Eb		Eint
	(I)	(II)	(I)	(II)
HCN···ZF3
HCN···PF3	–2.74	–2.51	–2.82	–2.54
HCN···AsF3	–4.09	–3.72	–4.24	–3.80
HCN···SbF3	–5.88	–5.35	–6.15	–5.53
HCN···BiF3	–7.48	–6.95	–7.75	–7.14
H3N···ZF3
H3N···PF3	–4.45	–4.40	–4.87	–4.75
H3N···AsF3	–7.32	–7.05	–8.24	–7.90
H3N···SbF3	–11.70	–11.35	–13.09	–12.71
H3N···BiF3	–13.20	–12.92	–14.31	–13.99
NC–···ZF3
NC–···PF3	–22.68	–20.00	–77.66	–74.64
NC–···AsF3	–30.93	–28.44	–77.79	–75.06
NC–···SbF3	–38.67	–36.70	–74.72	–72.36
NC–···BiF3	–39.24	–37.41	–73.16	–70.74

^aAll values corrected for BSSE.