Gaussian and GaussView

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.

info

Additional group permissions are needed for running the software.

Running Gaussian

First, launch interactive desktop through the webportal. Next, open the terminal application on the desktop.

$ module load gaussian/g16

$ # to launch Gaussian
$ g16

$ # to launch GaussView
$ gv