G98
The Gaussian 98 Quantum Chemistry Program

Gaussian 98 is an ab initio quantum chemistry package.

Gaussian 98 is an electronic structure program. Starting from the basic laws of quantum mechanics, the program predicts the energies, molecular structures and vibrational frequencies of molecular systems.

Using Gaussian 98 requires that you be in the C shell or T shell. You can check your shell by typing

        echo $SHELL
      

Note that Gaussian 98 is a proprietary program, and that access to the executable is strictly limited.

If Gaussian 98 is used in research that is to be published, it is the researcher's obligation to acknowledge the program with a citation that includes

• the name of the product, "Gaussian 98";
• the source,

  Gaussian Inc,
  340 Quinnipiac Street, Building 40,
  Wallingford, CT, 06492

• the authorship as designated by Gaussian;
• an appropriate copyright notice:

  Copyright C 1994-1998, Gaussian, Inc.

Related Data and Programs:

Gaussian 03 is an more recent version of Gaussian 98.

Reference:

1. http://www.gaussian.com, the Gaussian web site.
2. http://www.gaussian.com/gnews.htm, the Gaussian newsletter.
3. ../../examples/g98/g98_help/index.htm, Gaussian 98 online help pages.
4. Gaussian 98 Programmer's Reference,
   Gaussian, Inc.
5. Gaussian 98 User's Reference,
   Gaussian, Inc.
6. GaussView 3.0 User's Reference,
   Gaussian, Inc.
7. J E Foresman and A E Frisch,
   Exploring Chemistry with Electronic Structure Methods,
   Gaussian, Inc.

Examples and Tests:

• g98.inp, a sample input file to Gaussian 98;
• g98_teragold.ll, a job control file, suitable for submission on CSIT's Teragold IBM eServer pSeries 690 cluster;
• g98_teragold.log, the output from the sample job on Teragold.
• g98_eclipse.ll, a job control file, suitable for submission on CSIT's Eclipse IBM eServer pSeries 690 cluster;
• g98_eclipse.log, the output from the sample job on Eclipse.

You can go up one level to the EXAMPLES page.