Gaussian 16 Revision C.01 May 2026

If you are currently on Revision A.03 or B.01, – it will save you weeks of debugging convergence errors. If you are on a later version (G20+), there is little reason to downgrade, but understanding C.01's capabilities helps interpret older literature. Last technical note: Always test your specific system across two revisions if absolute precision is required (e.g., for benchmarking new functionals). Even in C.01, subtle numerical differences may arise from integral thresholds and DIIS restart logic.

1. Introduction & Context Gaussian 16 is the flagship quantum chemistry software package developed by Gaussian, Inc. It is widely regarded as the industry standard for predicting molecular properties, reaction mechanisms, and spectroscopic data using ab initio , density functional theory (DFT), and semi-empirical methods. gaussian 16 revision c.01

g16 < /dev/null | grep "Revision" Expected output includes: Gaussian 16, Revision C.01 If you are currently on Revision A

Alternatively, look at the header of any log file: Even in C