Subject: CHELPG charges for Br

From: "N. Sukumar" <[email-masked]>
Date: Fri, 6 Apr 2001 16:09:55 -0400

Lingling,

You can use the ReadRadii keyword in the route card (in Gaussian) to specify
radii to be read from the com file. Sample com file looks like this:

#HF/... POP=(chelpg,ReadRadii) ...

... <Z-matrix section as usual>
<blank line>
           53,   2.500000

This specifies that radius of Br is to be taken as 2.5

-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/  Dr. N. SUKUMAR		     /
/  Department of Chemistry           /
/  Rensselaer Polytechnic Institute  /
/  Troy, NY 12180-3590               /
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