Gaussian is an electronic structure program, used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest.
Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. It can be used to study molecules and reactions under a wide range of conditions, including both stable species and compounds which are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures.
Access is restricted. Complete the PSC Gaussian User Agreement to obtain access.
Sample scripts for Gaussian use are available in directory /opt/packages/examples/gaussian on Bridges-2.
From Gaussian, Inc.:
Usage on Bridges-2
To see what versions of Gaussian are available and if there is more than one, which is the default, along with some help, type
module spider gaussian
To use Gaussian, include a command like this in your batch script or interactive session to load the Gaussian module: (note ‘module load’ is case-sensitive):
module load gaussian