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High Performance Software

Gaussian

Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. It can be used to study molecules and reactions under a wide range of conditions, including both stable species and compounds which are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures.

This software is Access-Controlled. To request access, please contact the HPC Help Desk via E‑mail at help@helpdesk.hpc.mil, or by phone at 1-877-222-2039, option 1.