Gaussian 16 Revision C.01 May 2026

1. What is Gaussian 16 Rev C.01?

technical chemistry

Are you writing for a audience or a computer science class? Do youM06-2X)?

• Self-consistent field (SCF)/Hartree–Fock (HF)
• Density Functional Theory (DFT) with many functionals (hybrids, meta‑GGAs, long‑range corrected)
• Post‑HF correlated approaches: MP2, MP3, MP4 variants
• Coupled‑cluster: CCSD, CCSD(T), excited‑state EOM‑CC where available
• Multi‑reference treatments: CASSCF (and interfaces to MR methods), selected CI-like utilities

Here's a simple example of a Gaussian 16 input file for optimizing the geometry of a water molecule using B3LYP/6-31G(d): gaussian 16 revision c.01