gaussian16

Description

Gaussian is a general purpose computational chemistry software package initially released in 1970. It utilizes fundamental laws of quantum mechanics to predict energies, molecular structures, spectroscopic data (NMR, IR, UV) and much more advanced calculations. It provides state-of-the-art capabilities for electronic structure modeling.

Versions

  • Bell: B.01

  • Brown: A.03, B.01

  • Scholar: B.01

  • Gilbreth: A.03, B.01-gpu

  • Negishi: B.01

  • Workbench: A.03, B.01

Module

You can load the modules by:

module load gaussian16