Gaussian

Software Code: 

Gaussian

Version: 
g16-RevA.03-ax2, g09-RevD, g09-RevA
Description: 

Summary

Gaussian 09 is the latest version of the Gaussian® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws of quantum mechanics, Gaussian 09 predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments. Gaussian 09’s models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally (e.g., short-lived intermediates and transition structures).

Gaussian 09 provides the most advanced modeling capabilities available today, and it includes many new features and enhancements which significantly expand the range of problems and systems which can be studied. With Gaussian 09, you can model larger systems and more complex problems than ever before, even on modest computer hardware.

Description

Gaussian 09 is the latest version of the Gaussian® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws of quantum mechanics, Gaussian 09 predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments. Gaussian 09’s models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally (e.g., short-lived intermediates and transition structures).

Gaussian 09 provides the most advanced modeling capabilities available today, and it includes many new features and enhancements which significantly expand the range of problems and systems which can be studied. With Gaussian 09, you can model larger systems and more complex problems than ever before, even on modest computer hardware.

Compiled by: 
Charles Peterson
Compilation Notes: 

Gaussian runs on shared memory and run single host.

Load the Module – Example: 
module load gaussian/g09-revA
Research Area: 
Chemistry
Additional License Details: 

Gaussian is has been a license owned by UNT and UNT Chemistry. Please email hpc-admin@unt.edu for questions about getting access to Gaussian.

Citation Information: 

Citation Information can be found here: http://www.gaussian.com/g_tech/g_ur/m_citation.htm