For those without access to a Gaussian license, free alternatives such as ORCA, NWChem, and GAMESS offer viable pathways into computational chemistry. However, if your work demands the latest methods, extensive optimization algorithms, or commercial support, Gaussian 16 is a sound investment.
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Extract the downloaded G16W zip file to a folder on your computer. For those without access to a Gaussian license,
Set up calculation types (DFT, Molecular Mechanics, Hartree-Fock) visually. free alternatives such as ORCA