CCL:G: Gaussian 2 dimensional scan plots

[Jean Jules Fifen <julesfifen]|[gmail.com>]

Dear Denis,

Of course, it is possible.

You only need to perform the following tasks:

1. open the window displaying your surface using gaussview;

2. right click on this windows and choose save data;

3. An name your file (.txt or .dat) and save it where you want;

You are now able to plot the saved file using origin or ant other plot software.

Regards,

On Thu, May 8, 2014 at 7:13 AM, Denis Rychkov rychkov.dennis%gmail.com <owner-chemistry[A]ccl.net> wrote:

Hi,

I'm quite new to Gaussian and struggle with several difficulties with data plotting.

The task is - to create potential energy surface (PES) of a molecule with 2 angles scan.
It looks like this:
D61_12_13 Â Â = Â Â Â Â61.46117939 s 72 5.
D14_12_13_16 Â= Â Â Â18.31423473 s 72 5.

In fact I can obtain correct .out file and can visualize it with GaussView. But properties of this graph are very poor (for example it is impossible to show isolines only or change colours and fonts). Is it possible to extract data of angles and energies somehow to plot them with Origin or Excel or smth. else?

Thanks!

Denis.

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Jean Jules FIFEN,

Ph.D. in Atomic & Molecular Physics

Senior Lecturer,

âDepartment of Physics,

Faculty of Science,

University of Ngaoundere, Cameroon.

P.O. BOX 454 Ngaoundere

Private: P.O. BOX 547 Ngaoundere

Phone number: +972 55 8961001/ +237 75 21 61 39

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