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GAUSSIAN (Application)

Introduction

Gaussian 09 is the latest in the Gaussian series of electronic structure programs. It can perform density functional theory (including time dependent), Hartree-Fock (including time dependent), Moller-Plesset, coupled-cluster, and configuration interaction calculations. Gaussian is used widely to predict the energies, molecular geometries, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types.

License Information

SHARCNET maintains a Gaussian computer center license which allows us to install Gaussian on clusters physically located on one SHARCNET site. The license stipulates that SHARCNET shall not make the software available to anyone in a research group developing software that Gaussian Inc. views as directly competitive to them..

The SHARCNET policy regarding commercial software can be found here. A Supervisor(PI) can submit an online ticket or email help@sharcnet.ca to request joining SHARCNET Gaussian User Group.

To apply for joining SHARCNET Gaussian User Group, PI and the group members will be deemed to accept the license terms:

1) You are not a member of a research group developing software competitive to Gaussian.
2) You will not copy the Gaussian software, nor make it available to anyone else.
3) You will properly acknowledge Gaussian Inc. and SHARCNET in publications.

Several institutions have local Gaussian site licenses – these permit use only by local users on the computers located at that site. See the Availability Table for details.

Availability Table

Version Default Module Systems
g03-C.02 (group: uwo_users) goblin
g03_D.01 (group: gaussian) True orca
g09-C.01 (group: mac_users) True iqaluk, wobbie
g09-D.01 (group: gaussian)  True orca
g09_E.01 (group: gaussian)  True graham, orca
g16_A.03 (group: guassian) True graham, orca

Documentation

https://www.sharcnet.ca/help/index.php/GAUSSIAN

Mailing List

To sign up for email notices about pending version updates, removals and other important announcements for this software package, sign in.

Announcements

o Feb 3, 2017: The new Gaussian release, Gaussian 16 (g16_A.03), is available on orca, saw, and brown. The existing NBO6 does not have an interface for g16, so NBO6 users have to keep using g09. Please see the update on software wiki page at [https://www.sharcnet.ca/my/software/show/21]

Change Log

o Feb 2, 2017: Installed gaussian/g16_A.03 on brown, orca and saw.
o Sept 7, 2016: Installed gaussian/g09_E.01 on brown, orca and saw.
o Sept 19, 2013: NBO6 has been added to gaussian/g09_D.01 on brown, orca and saw.
o Jun 5, 2013: Installed gaussian/g09_D.01 on brown, orca and saw.
o Oct 12, 2012: Re-installed g09_C.01|g09_B.01|g03_D.01 on orca and saw and removed from module default as part of conversion from centos5 to centos6.
o Oct 5, 2012: Installed gaussian/g09_C.01, gaussian/g03_D.01 on brown. Changed default to g09_C.01 and g03_D.01 (ticket-18824).