Reliablity of B3LYP functional in heavy metals



   Dear netters.
  1. Do you know that the reliabilities of B3LYP functional in heavy atoms
 such as Au, Hg, Pb
 , especially Hg, and these complexes (IP, structure, thermodynamics, and so
 on)?
  Would you please show references?
  2. In the present, I will select Stevens' ECP in heavy atoms.
 Stevens, W. J. et al. Can. J. Chem, 1992,  70, 612.
  Dolg's ECP(Theoretica Chim Acta, 1990, 77, 123) is more useful than Stevens',
 because that is more popular and larger basis set than Stevens'.
 It's pity that, I think, in Gaussian 9X, we cannot use Dolg's ECP
 . That is because I think , in the pseudopotential of Hg, the projection of
 angular symmetry l=4 (g) is
 not treated in G9X. Really true? If not, please send me the input example
 using Dolg's ECP.
  Thanks in advance
   Seiji Mori
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    Seiji Mori
   Graduate student in Nakamura Laboratory
   (Lab. of Physical Organic Chemistry)
  Department of Chemistry
  The University of Tokyo
  Hongo 7-3-1, Bunkyou-ku, Tokyo 113,
   JAPAN.
  email:smori # - at - # utsc.s.u-tokyo.ac.jp
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