Gaussian 16 Software Hot! Download Free -

Excellent DFT optimization, robust transition-state searches, and state-of-the-art correlation effects. It is exceptionally fast and well-supported.

While the software itself is not free, you may have legal access via one of the following methods: gaussian 16 software download free

What or chemical systems (e.g., transitions, excited states, solids) are you trying to model? Excellent DFT optimization