Gaussian

Gaussian is an interconnected system of programs used for performing molecular orbital calculations. Gaussian 03 is now available for your use on the VT ARC SGI systems.

To execute your Gaussian program, enter the command g03 followed by the name of your Gaussian program file, followed by the name you wish to assign to the output file. For example, to use the sample water molecule file, test000.com copied to the current directory, you could use the following command:

    g03  <test000.com  >test.out