While Revision C.01 adds specific technical features, it retains the powerful modeling capabilities of the Gaussian 16 suite : Feature Type Capabilities
The C.01 revision of Gaussian 16 introduces several new features and improvements, including:
: Significant improvements were made to parallel performance on systems with large numbers of processors. gaussian 16 revision c.01
0 1 : Designates the molecular charge (0) and spin multiplicity (1, singlet). Troubleshooting Common Errors
Given that many journals (e.g., J. Chem. Phys. , J. Phys. Chem. A ) require reporting the exact Gaussian revision used, citing is still perfectly acceptable and recommended for work done through 2023–2025. While Revision C
: Mean absolute deviation (MAD) for reaction energies remained identical to Rev B.01 within 0.02 kcal/mol, confirming numerical stability.
Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, ... [and others] The initial release
Gaussian 16 was officially released in 2016, succeeding Gaussian 09. The initial release, Revision A.01, brought major novelties including:
: Optimizations for Intel Xeon (Scalable processors), AMD EPYC, and Apple Silicon architectures via updated compilers.
Add SCF=QC (Quadratic Convergence) or increase iterations with SCF=(MaxCycle=512) . Inverted Hessian / Imaginary Frequencies
