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Gaussian 16 is the latest version of the acclaimed Gaussian series of electronic structure programs, widely used by chemists, physicists, biochemists, and materials scientists globally. Developed by Gaussian, Inc., this software is a comprehensive tool for predicting molecular properties, reaction pathways, and spectroscopic data using quantum mechanics.
If you do not have access to a commercial Gaussian license, the scientific community provides powerful, free, and open-source quantum chemistry software packages that can perform similar calculations. gaussian 16 software download free