You must purchase a license directly from Gaussian, Inc. .

Gaussian 16 is the industry standard for electronic structure modeling. Because of its complexity and the support required to maintain it, the software carries significant licensing fees.

Gaussian 16 provides state-of-the-art capabilities for modeling electronic structures. It allows researchers to predict the energies, molecular structures, vibrational frequencies, and numerous molecular properties of systems in the gas phase and solution. From fundamental excited-state processes to complex catalytic cycles, Gaussian 16 is the industry standard for high-accuracy modeling. Key Features of Gaussian 16

Support for a wide range of spectra, including VCD, ROA, and NMR.

Interact via Jupyter notebooks. Excellent for:

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