Gaussian: LSU Overview

General Information

Gaussian is a software package used for calculating molecular electronic structure and properties. Gaussian is used by chemists, chemical engineers, biochemists, and physicists for research in established and emerging areas of chemical interest. This package includes a wide range of ab initio and semi-empirical methods for energy, gradient, frequency, and property calculations.

Licensing

Gaussian is generally available under a site license for LSU HPC usage.  If you have a special use case for Gaussian, please contact the HPC team at hpc@lsu.edu and reference “Gaussian Use Case” in the subject line of your email.