

Dear Michael:

Look at JPC, 1996, 100, 15056 and referencies theirin. In addition I hope 
the following list of references is also good enough. Good luck.

Best regards,

Adel El-Azhary

============================================================================
 
\bibitem{b3lyp}  Stephens, P. J.;  Devlin, F. J.; Chabalowski, C. F.;
                 Frisch; M. J. {\em J. Phys. Chem.} {\bf 1994}, {\em 98},
                 11623.

\bibitem{adel8}  El--Azhary, A. A; Suter, H. U.
                 {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 15056;
                 El--Azhary, A. A {\em Spectrochim. Acta}; in press.

\bibitem{steph}  Finaly, J. W.; Stephens, P. J.
                 {\em THEOCHEM} {\bf 1995}, {\em 357}, 225.

\bibitem{steph1} Ashvar, C. S.; Devlin, F. J.; Bak, K. L.; Taylor, P. R.; Stephens, P. J.
                 {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 9262.

\bibitem{pople}  Johnson, B. G.; Gill, P. M. W.; Pople, J. A.
                 {\em J. Chem. Phys.} {\bf{1993}}, {\em 98}, 5612.

\bibitem{amos}   Murray, C. W.; Laming, G. J.; Handy, N. C.; Amos, R. D.
                 {\em Chem. Phys. Lett.} {\bf 1992}, {\em 199}, 551;
                 Handy, N. C.; Murray, C. W.;  Amos, R. D.
                 {\em J. Phys. Chem.} {\bf 1993}, {\em 97}, 4392.

\bibitem{mart}   Martin, J. M. L.; El-Yazal, J.; Francois, J.-P.
                 {\em Mol. Phys.} {\bf 1995}, {\em 86}, 1437.

\bibitem{pulay}  Rauhut, G; Pulay, P.
                 {\em J. Phys. Chem.} {\bf 1995}, {\em 99}, 3093.

\bibitem{scot}   Scott, A. P.; Radom, L. {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 16502;

\bibitem{wong}   Wong, M. W. {\em Chem. Phys. Lett.} {\bf 1996}, {\em 256}, 391.

\bibitem{vib}    Bour, P.; Tam, C. N.; Shaharuzzaman, M. ; Chickos, J. S.; Keiderling, T. A.
                 {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 15041;
                 Qin, Y; Wheeler, R. A.
                 {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 10554;
                 Nonella, M; Tavan, P.
                 {\em Chem. Phys.} {\bf 1995}, {\em 199}, 19;
                 Martin, J. M. L.; El-Yazal, J.; Francois, J.-P.
                 {\em Chem. Phys. Lett.} {\bf 1996}, {\em 252}, 9;
                 Muir, M; Baker, J.
                 {\em Mol. Phys.} {\bf 1996}, {\em 89}, 211;
                 Miaskiewicz, K.; Smith, D. A.
                 {\em Chem. Phys. Lett.} {\bf 1997}, {\em 270}, 376.

\bibitem{appl}   See for example: Bauschlicher Jr., C. W.
                 {\em Chem. Phys. Lett.} {\bf 1995}, {\em 246}, 40;
                 Chaquin, P.; Bahou, M.; Schriver, A.; Schriver, L.
                 {\em Chem. Phys. Lett.} {\bf 1996}, {\em 256}, 609;
                 Jursic, B. S.
                 {\em Chem. Phys. Lett.} {\bf 1996}, {\em 256}, 603;
                 Durant, J. L.; Cheeseman, J. R.; Trucks, G. W.; Keith, T. A; Frisch, M. J.
                 {\em J. Chem. Phys.} {\bf 1996}, {\em 104}, 5497;
                 King, R. A.; Galbraith, J. M.; Schaefer III,
                 H. F. {\em J. Phys. Chem.} {\bf 1996}, {\em 100}, 6061.
                 
========================================================================

5: