Fractional Charges



Dear Colleagues:

Is it possible in GAUSSIAN to calculate atoms nuclear charges? For example:

F(-1/3),

where the the monatomic system is X and the charge is Z so the ground state is F(0) (in the above case)?

If it cannot can you recommend a pacakge that will?




Best Wishes;

Abraham F. Jalbout
Department of Chemistry
University of New Orleans