Gaussian is a connected system of programs for performing a variety of semi-empirical and ab initio molecular orbital (MO) calculations.
|Categories for this software:||Computational Chemistry|
|What is Gaussian||Gaussian is an ab initio quantum chemistry program, purchased from Gaussian Inc. Starting from the fundamental laws of quantum mechanics, Gaussian 09 predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments. Gaussian 09’s models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally (e.g., short-lived intermediates and transition structures). Gaussian 09 is the latest version and offers many new features, please see: http://www.gaussian.com/g_tech/rel_notes.pdf .|
|How to use||Only Monash Clayton staff and students can use Gaussian. To gain access, users must respond via email to the terms and conditions listed see, GAUSSIAN and GAUSSVIEW End User License Agreement|
Below is a sample Gaussian 09 Job script for the Monash Sun Grid. Code may be downloaded from G09-sample .