[Q:] energy calculation of large molecule



 Dear netters.
 I have a question concerning the energy calculation
 of the frontier orbitals of the following molecule:
 Ru C33 H31 N3 (2+)     M= 860.5 g/mol
 This is substituted Ruthenium-di(bipy) complex and we
 like to calculate the HUMO and LUMO energies. In your
 opinion: What might be the best way to do this on such
 a big molecule containing a heavy atom? Is it possible
 anyway?
 With best regards,
   R. Oestereich
   oestere ^at^ uni-muenster.de
   Institute for Analytical Chemistry
   University of Regensburg
   Germany