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Overview

Gaussian is an ab initio quantum chemistry suite of programs providing state-of-the-art capabilities for electronic structure modelling. 

GaussView is the graphical interface used with Gaussian. It aids in the creation of Gaussian input files, enables the user to run Gaussian calculations from a graphical interface without the need for using a command line instruction, and helps in the interpretation of Gaussian output (e.g. you can use it to plot properties, animate vibrations, visualize computed spectra, etc.).

How to use

Versions

  • Gaussian 16
  • Gaussian 09
  • GaussView 6
  • GaussView 5

Licence requirements

We give individuals access to Gaussian on a per request basis as a condition of our licence agreement. Users must apply to the National Facility to access this software agreeing to the conditions of use for Gaussian as below:

  1. You should include the appropriate Gaussian literature citation in any publications.
  2. We are required to inform Gaussian of the names and institutions of users of the software. If you have an objection to us providing this information, please let us know.

  3. Please also note the following conditions which are listed in the log files of all Gaussian jobs: 

------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------

If you agree with the licencing conditions as stated above, you should request membership of the Gaussian software group. 

Documentation

The Gaussian website contains many useful resources for Gaussian:

and GaussView

Authors: Yue Sun, Mohsin Ali, Rika Kobayashi

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