Table VIII. Comparison of Zero-Point Vibrational Energies (kcal/mol)

a) ZPVE for diatomics were derived from spectroscopic constants in Hub.79, while those

for polyatomics were taken from J. M. L. Martin, J. Molec. Struct. (THEOCHEM)

398-399, 135-144 (1997) [WATOC'96 special issue]. , unless otherwise indicated.

b) I. Kozin and P. Jensen, J. Mol. Spec. 163 (1994) 483.

c) B. Abel, H.H. Hamann, A. A. Kachanov, and J. Troe, J. Chem. Phys. 104 (1996) 3189.

d) Derived from spectroscopic constants in NIST-JANAF Thermochemical Tables, 4th Edition,

Ed. M. W. Chase Jr., J. Phys. Chem. Ref. Data Monograph 9 (1998).

e) T. J. Lee, J. M. L. Martin, C. E. Dateo and P. R. Taylor, J. Phys Chem. 99 (1995) 15858.

f) J. M. L. Martin, J. Chem. Phys. 108 (1998) 2791.

g) Taken from unpublished work of D. W. Schwenke, A. D. Pradhan, and H. Partridge, quoted

in C.W. Bauschlicher and H. Partridge, J. Chem. Phys. 103 (1995) 10589.

h) Quartic force field calculated at CCSD(T)/VQZ+1 level for the purposes of this work.