Subject: Atomic charges of halogen containing molecules

From: [email-masked] (Jaikwang Shin)
Date: Thu, 19 May 94 13:38:25 +0900

Dear Netters:
	Is there anyone who has experiences on calculating atomic charges
of halogen(F, Cl ..) containing molecules? I've performed MOPAC6.0/AM1 
calculations on those molecules and the results are as follows.

   |          Atomic Charges.
   C1=O       C1  0.302
   |           O -0.314 
  HC2-X       C2 -0.057
   |       X, Cl -0.075

I expect that the clorine atom should have some more negative charges.
Isn't it(Cl -0.075) too small? 

Jai
[email-masked]