• Computational research cluster, Keck Center for Science and Engineering
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Research Technology Support

» Gaussian and GaussView

Gaussian is a general purpose computational chemistry software package that supports various molecular mechanics, semi-empirical quantum chemistry, self-consistent field, Møller–Plesset perturbation, built-in-density-functional-theory, complete active space (CAS), and other quantum chemistry method calculations to simulate chemical interactions. GaussView is the optional graphical user interface for Gaussian. GMMX is an add-on for GaussView which adds the ability to perform conformational searches from within GaussView.

Gaussian, GaussView, and GMMX are installable and supported on all RTS computational resources. The current RTS-supported versions are Gaussian 16, GaussView 6, and GMMX 3.

These applications are commercial products and most users will need to purchase licenses in order to use them (or be enrolled in a course where access is provided).

Free or freely-available equivalent or partially-equivalent software packages include GAMESS/Firefly, ORCA, and Dalton.

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Contact researchcomputing@chapman.edu with questions or requests.