You can use Gaussian16.C.01 on our system.
Gaussian has required an application basically.
application for Gaussian16
 

How to use

    On this article, we describe how to use Gaussian on OCTOPUS with batch-job. If you want to know a detail, please see
    Gaussian Official or User Reference.
     

    input file

      First, please edit input file with any editor. For instance, please write the following script and save any good name. This time, we saved file as "single_point_energy_calc_on_water".

      Please see About Gaussian 16 Input for a detail of input file.

       

    editting a job-script

      Second, please edit job-script file with editor and save any good name also. This time we saved the following script as "oct_water.sh".

      line 2 specifying a queue for execution
      line 4 changing group
      line 5
      line 6
      setting an environment variable for Gaussian
      g16root top directory for Gaussian(Please modify depending on Gaussian division. On the above job-script, it specifies B.01)
      GAUSS_SCRDIR set scratch directory. If you did not specify it, a directory executing Gaussian become a scratch directory.
      line 7 reading setting file
      line 8 moving a current directory when you submit a job script file
      PBS_O_WORKDIR the environment variable that was automatically set at the directory where you were at the time you sent the job script.
      line 9 Gaussian execution command
      line 10 please insert blank line

      ※please see how to write job-script for a detail. 

    edit job-script(for GPU)

      Gaussian16 is supported by GPU. the following job script will execute Gaussian on GPU 4 units.

      Please see Using GPUs for a detail.
       

    submiting job script file

      Please submit job script file with the following command.

      % qsub oct_water.sh (enter)

      When a calculation success, a result will be output "result" file.

       

    Reference