Gaussian 16 Revision C.01 Jun 2026

    For computational chemistry developers and data scientists building machine learning models, Revision C.01 offers major structural improvements via its internal matrix data extraction. The update introduces raw binary files utilizing .

    | Feature | Gaussian 16 Rev. C.01 | Gaussian 16 Rev. C.02 | | :--- | :--- | :--- | | | Wide (x86_64, IA32, Power, ARM) | Narrower (x86_64 only) | | GPU Support | NVIDIA V100 and older | NVIDIA A100 | | New Features | Substantial (NBO7, RESP, anharmonic VCD, etc.) | None, focused solely on new GPU support |

    %Opt=Loose %NProcShared=4 %Mem=8GB %Chk=water_opt.chk # opt freq B3LYP/6-311+G(d,p) Emp=GD3BJ Geometry optimization of a water molecule 0 1 O 0.00000000 0.00000000 0.11779000 H 0.00000000 0.75545300 -0.47116100 H 0.00000000 -0.75545300 -0.47116100 Use code with caution. 6. Troubleshooting Common Errors gaussian 16 revision c.01

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    Continued support for cutting-edge density functionals, including dispersion corrections (GD3BJ), which are crucial for accurately modeling non-covalent interactions. Typical Applications of Gaussian 16 C.01 Troubleshooting Common Errors This public link is valid

    Fixes to rare memory leak issues when running exceptionally long trajectories or complex ONIOM calculations.

    Gaussian 16 Revision C.01 is optimized for a wide variety of modern architectural platforms. It is distributed for: For a "good essay" or overview

    Gaussian 16 Revision C.01 is the most recent major update to the industry-standard electronic structure modeling software. For a "good essay" or overview, you should focus on how this specific revision bridges the gap between high-level accuracy and computational efficiency.

    Mick Philpott’s Blog (and similar computational chemistry blogs) Topic: Comparing Gaussian 16 C.01 to ORCA 5.0

    CCL (Computational Chemistry List) Archives / Gaussian Help Blogs Topic: Hidden Defaults in G16 C.01

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