Subject: CHELPG charges for iron compounds

From: John Simmie <[email-masked]>
Date: Wed, 17 Apr 2002 14:00:54 +0100

The problem arises when doing a Gaussian 98 run on an iron complex
using the keyword POP=CHELPG to calculate atomic charges ...
an error message issues saying that "GetVDW: no radius for atom 1 atomic 
number 26"

Where does one find/ insert the missing Breneman radius?

      Dr. John M. Simmie::Chemistry Department
  National University of Ireland, Galway::Ireland