[no subject]



In regards to your question about a less expensive method to
 calculate molecular energies, you might care to check out
 our recent paper:  J. Phys. Chem.  v100, p10083.
 Here we calculated the energy differences (electron affinites) between
 a number of quinones and their respective radical anions.  We compare
 several methods and find that the best is B3LYP hybrid HF/DF method
 with a 6-311G(dp) or 6-311G(3dp) basis set.  We found that the G2
 method, which you mention specifically, gives very bad results
 for parabenzoquinone.
 I would very much like to hear about you work as it
 progresses.
 Sincerely
 Anthony K. Grafton
 Department of Chemistry and Biochemistry
 University of Oklahoma
 Norman, OK