CCL:G: AIM information

From: "Guermoune Abdeladim" <lguermoune-,-hotmail.com>
Subject: CCL:G: AIM information
Date: Fri, 1 Jun 2007 17:10:59 -0400

 Sent to CCL by: "Guermoune  Abdeladim" [lguermoune]|[hotmail.com]
 Hello,
 I am beginner with the program of AIM2000 analysis. First I have create file wfn
 from the Gaussian98 using words key P B3LYP/6-311+G** output=wfn
 density=current, then I treated file wfn by the AIM2000 program to localize the
 critical points, the density and laplacian. But the results don't seem to me
 coherent, for example when the density increases laplacian can take a positive
 value, and it can take a negative value when the density decrease. In my
 structure I have specially a metallic center: iron, and two borons with
 hydrogens in bridged position.
 I wish to know if there is another manner to improve my file result wfn or any
 others suggestions.
 Thanks.