Subject: dipole moment of charged molecule

From: "Dr. Peter Burger" <[email-masked]>
Date: Wed, 13 Sep 2000 17:58:36 +0200

Dear CCLers,

somehow I got stuck. I want to calculate and compare (DFT) the dipole
moments for a series of

 charged molecules (monocations). 

Is this possible? I noticed a severe problem, so far,
which I believe is in part due to the choice of reference point
(so far center of mass).

Any pointer is highly appreciated.

Peter