TABLE 3.

Thermal parameters (Hartree/Particle) of the H-bonded complexes I/An.

Parameter	I	I/A6	I/A8	I/A10	I/A12	I/A16
Ecorr	0.376839	0.667563	0.724793	0.781819	0.838814	0.953074
ZPVE	−959.673700	−1691.277723	−1769.844771	−1848.411939	−1926.979094	−2084.113191
Etot	−959.651417	−1691.236651	−1769.801047	−1848.365454	−1926.929885	−2084.058547
H	−959.650473	−1691.235707	−1769.800103	−1848.364510	−1926.928941	−2084.057603
G	−959.729290	−1691.364803	−1769.934774	−1848.506657	−1927.078202	−2084.220908

ZPVE: Sum of electronic and zero-point energies; Etot: Sum of electronic and thermal energies; H: Sum of electronic and thermal enthalpies; G: Sum of electronic and thermal free energies.