Subject: M: ESP failure

From: A J Turner <[email-masked]>
Date: Sun, 12 May 1996 08:01:11 +0100 (BST)

Hi!

I have a system where a carbon is buried betweeen an O and a Cl.  This 
leads the ESP module in mopac to give all the negative charge to the 
Carbon!!!

R-O-C-H2
  |
  Cl

Clearly the Conolly surface is wrong and/or there are insufficiant points 
being used in the fit.  However, the manual is far from explicit about 
how to improve this.  I don't want to randomly change the parameters till 
I get the result that I expect!!!

Any suggestions

Thanks in advance

Alex

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