CCL:G: about AIM calculation

From: "GUERMOUNE ABDELADIM" <lguermoune*o*hotmail.com>
Subject: CCL:G: about AIM calculation
Date: Fri, 1 Jun 2007 18:09:02 -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.