Gaussian — 16w

For a typical user, the workflow looks like this:

Gaussian 16W is proprietary software distributed by Gaussian, Inc. (not to be confused with open-source alternatives like ORCA or NWChem). You must purchase a license, which provides: gaussian 16w

: Accurately predicts IR, Raman, UV/Visible, and NMR spectra. It also features advanced vibronic analysis for excited states. For a typical user, the workflow looks like