CCL: Fukui

From: "Benoit Gearald" <ablux13_-_gmail.com>
Subject: CCL: Fukui
Date: Thu, 5 Mar 2020 03:13:13 -0500

 Sent to CCL by: "Benoit  Gearald" [ablux13]_[gmail.com]
 Dear CCLers,
 I would like enquire about the NPA (natural population analysis) when doing
 the Fukui calculations. For the cationic and anionic state of a molecule,
 in the output we can see there some tables (alpha and beta) of charge for
 each atom. Lets say for the anionic one, we can use the charges from the
 table given the total (in which the charge is -1) or from the table at the
 end in which also the charge is -1 (alpha). Please I need an explanation to
 make this clear in my mind.
 Best regards,
 Benoit