CCL: Computing AsMe3

From: Ulf Ekström <ulfek,few.vu.nl>
Subject: CCL: Computing AsMe3
Date: Mon, 4 Oct 2010 20:07:34 +0200

 Sent to CCL by: =?ISO-8859-1?Q?Ulf_Ekstr=F6m?= [ulfek],[few.vu.nl]
 >> I computed the compound using PM5 methaod anf got 3.2118 kcal/mol what
 >> functional method you suggest to get 2.8 even I tested B88-PW91 with no
 >> good results
 What do intend to calculate in the end? Of course if you keep trying
 methods sooner or later something will give you the number 2.8, which
 will be completely meaningless.
 Sincerely,
 Ulf Ekström