Subject: Re: CCL:calculating atomic charges with AIMPAC

From: Carlos Silva Lopez <csilval{at}uvigo.es>
Date: Wed, 28 May 2003 20:45:37 +0200 (CEST)

Hello,
Though I do not know which method you are using to get the wavefunction,
I would blame first to the quality of the wavefunction than to the aimpac
program. Check the boundaries of the carbon atoms to see if the atomic
basin is what you expect to be.
Hope it helps

_-_-_-_-_-_-_-_-_-_-_-_-

   Carlos Silva Lspez
 Dept. Qummica Organica
  Universidade de Vigo
  Phone:0034 986812226
-_-_-_-_-_-_-_-_-_-_-_-_