CCL: Bond Type (character of atom-atom interaction) from Hartree-Fock calc.

From: "Adrian Villegas" <adriano!^!eps.mcgill.ca>
Subject: CCL: Bond Type (character of atom-atom interaction) from Hartree-Fock calc.
Date: Fri, 9 Mar 2007 12:40:32 -0500

 Sent to CCL by: "Adrian  Villegas" [adriano : eps.mcgill.ca]
 Hi,
 I am a bit confused as to how to obtain information on the character of the
 interaction (bond type) between a specific atom-atom pair from the energies and
 MO coefficients obtained from a converged geometry optimization (Hartree-Fock
 6-31G**).
 In other words, what I want is to obtain an additional criterion to determine
 whether a particular atom-atom interaction has a covalent, ionic or
 hydrogen-bond character.
 Any piece of information would be greatly appreciated
 AV