From Gaussian 09 Home Page: Gaussian 09 is a connected series of programs for performing semi-empirical, density functional theory and ab initio molecular orbital calculations.


  • 09b01

Authorized Users

  • Users added to the gaussian group (upon request approval)


  • CIRCE cluster

Running Gaussian on CIRCE

The Gaussian user guide is essential to understanding the application and making the most of it. The guide and this page should help you to get started with your simulations. Please refer to the Documentation section for a link to the guide.

  • Note on CIRCE: Make sure to run your jobs from your $WORK directory!
  • Note: Scripts are provided as examples only. Your SLURM executables, tools, and options may vary from the example below. For help on submitting jobs to the queue, see our SLURM User’s Guide.
  • The script below (for testing, name it “”) can be copied into your job directory (the folder with your input files) and modified so that you can submit batch processes to the queue.
#SBATCH --comment=gaussian-test
#SBATCH --ntasks=2
#SBATCH --job-name=gaussian-test
#SBATCH --output=output.%j.gaussian-test

#### SLURM 2 processor Gaussian test

module purge
module add apps/gaussian/09b01_em64t

g09 < $MODEL

Next, you can change to your job’s directory, and run the sbatch command to submit the job:

[user@login0 ~]$ cd my/jobdir
[user@login0 jobdir]$ sbatch ./
  • You can view the status of your job with the “squeue -u <username>” command


Home Page, User Guides, and Manuals

Benchmarks, Known Tests, Examples, Tutorials, and Other Resources

  • Gaussian 09 Known Tests
    • /opt/apps/gaussian/tests

More Job Information

See the following for more detailed job submission information:

Reporting Bugs

Report bugs with Gaussian to the IT Help Desk: