Re: CCL:calculating atomic charges with AIMPAC

From: Carlos Silva Lopez <csilval{at}uvigo.es>
Subject: Re: CCL:calculating atomic charges with AIMPAC
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
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    Carlos Silva Lspez
  Dept. Qummica Organica
   Universidade de Vigo
   Phone:0034 986812226
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