From owner-chemistry -8 at 8- ccl.net Tue Sep 18 06:02:00 2012
From: "John Keller jwkeller=alaska.edu" <owner-chemistry- -server.ccl.net>
To: CCL
Subject: CCL: Mopac output file visualizer
Message-Id: <-47615-120918045352-4531-8iaFO7EhnfK6uSQkHaYeWQ- -server.ccl.net>
X-Original-From: John Keller <jwkeller=alaska.edu>
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Date: Tue, 18 Sep 2012 00:53:45 -0800
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Sent to CCL by: John Keller [jwkeller#alaska.edu]
Hi Tain,
You can upload mopac output.out files (or log files from several
programs) at the WebMO website www.webmo.net.  Log on as guest. I just
uploaded one (calculated locally here) "Pyridine-Freq-Mopac". You can
use the vibration animation, symmetry element graphics, MO or ESP
graphics too.
John Keller
Department of Chemistry and Biochemistry
University of Alaska Fairbanks


On Mon, Sep 17, 2012 at 9:13 AM, Tain Rodrigues Costa
tainaliscano=-=globomail.com <owner-chemistry::ccl.net> wrote:
>
> Sent to CCL by: "Tain   Rodrigues Costa" [tainaliscano[-]globomail.com]
> Dear researches,
>
> I am doing some semi-empirical calculations with the PM7 method.
> I am running frequency calculations. I would like to know if there is any progam to visualize the frequency of the molecules.
>
> Thanks in advance,
>
> Tain Rodrigues,
> Undergraduate studant of farmacy of Universidade Federal Fluminense (UFF)>
>