From owner-chemistry $#at#$ ccl.net Fri Mar 22 11:48:00 2013
From: "Sergio Galembeck segalemb[]usp.br" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL:G: NBO - Bond Order
Message-Id: <-48453-130322101953-5468-qb1yJAWj7Rhgb94hGf3L3w*|*server.ccl.net>
X-Original-From: Sergio Galembeck <segalemb%%usp.br>
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Date: Fri, 22 Mar 2013 11:19:37 -0300
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Sent to CCL by: Sergio Galembeck [segalemb{:}usp.br]
Dear Melani,

    if you have NBO 3.1, that comes with Gxx, you need to use pop=nboread keyword and after the geometry and a blank line, put a line with: $nbo bndidx $end. After, add a blank line.

                Best regards,

                           Sergio




On 22/03/2013, at 05:13, "Meilani Kurniawati Wibowo piano_oz1989() yahoo.co.id" <owner-chemistry(a)ccl.net> wrote:

> 
> Sent to CCL by: "Meilani Kurniawati Wibowo" [piano_oz1989_+_yahoo.co.id]
> Dear all, 
> 
> How to determine the bond order from the Gaussian output file? What keyword I 
> have to add to get the value of bond order?
> 
> Thank you.> 
>