Overview

Gaussian 16 is a sophisticated software package used for computational chemistry and molecular modeling. It offers a wide range of functionalities for quantum chemistry calculations, allowing scientists and researchers to predict the properties of molecules and reactions. Key features of Gaussian 16 include the ability to model electronic structures, predict molecular energies, optimize geometries, and simulate vibrational and electronic spectra

Additional group permissions are needed for running the software.

Steps

Get an interactive desktop:

First, log into the supercomputer of choice’s web portal and launch an interactive desktop. Then open the terminal application

Loading Gaussian:

module load gaussian/g16

Launching Gaussian:

g16

Launching GaussView

gv

Additional Help

If you require further assistance on this topic, please don't hesitate to contact the Research Computing Team. To create a support ticket, kindly send an email to rtshelp@asu.edu. For quick inquiries, you're welcome to reach out via our #rc-support Slack Channel or attend our office hours for live assistance