Gaussian 16 Revision C.01 ^hot^

0 1 C 0.000000 1.396268 0.000000 C 1.209205 0.698134 0.000000 ...

(often abbreviated as G16 Rev C.01) represents a significant milestone in the Gaussian 16 series. Released as an evolutionary update to earlier revisions (such as Rev A.03 and Rev B.01), Rev C.01 consolidates improvements in accuracy, parallel efficiency, and numerical stability. For research groups and high-performance computing (HPC) centers, understanding what this specific revision offers is critical for reproducibility, job optimization, and leveraging the latest methodological advancements. gaussian 16 revision c.01

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. 0 1 C 0

: Mean absolute deviation (MAD) for reaction energies remained identical to Rev B.01 within 0.02 kcal/mol, confirming numerical stability. Parallel Scaling (DFT B3LYP/6-311+G(d,p), 100 atoms, water cluster) | Cores | Speedup (Rev B.01) | Speedup (Rev C.01) | |-------|--------------------|--------------------| | 1 | 1.00 | 1.00 | | 8 | 5.90 | 6.40 | | 16 | 9.20 | 12.10 | | 32 | 12.50 | 20.30 | Parallel Scaling (DFT B3LYP/6-311+G(d

Rev C.01 shows significantly better scalability above 16 cores due to improved Fock matrix construction and grid distribution. For new users or those migrating from older Gaussian versions, here are typical input structures exploiting Rev C.01 features. Example 1: Geometry optimization with a new functional %chk=benzene_opt.chk %nprocshared=16 %mem=32GB #p opt freq wB97X-V/def2-TZVPPD scrf=(smd,solvent=water) Optimization of benzene with range-separated functional and solvation