Gaussian 16 Software Download Free ((better)) [Simple BREAKDOWN]

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: An open-source software package funded by the U.S. Department of Energy.

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Extremely popular, powerful, and free for academic use. It handles many of the same tasks as Gaussian.

ORCA is a flexible, efficient, and easy-to-use tool for quantum chemistry, with particular emphasis on spectroscopic properties of open-shell molecules. It is an open-source application under an academic license, performing calculations based on HF, DFT, and configuration interaction theory, and can also handle molecular dynamics simulations. What are you trying to model

2. GAMESS (General Atomic and Molecular Electronic Structure System)

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One of the oldest and most respected free software packages for quantum chemistry.