In the realm of computational chemistry, few software packages command the respect and widespread adoption of Gaussian. Since its inception, Gaussian has been a cornerstone for researchers modeling molecular electronic structures, reaction pathways, spectroscopic properties, and numerous other quantum chemical phenomena. With each successive version and revision, the software undergoes refinement—bug fixes, performance enhancements, and the introduction of new algorithms.
Gaussian 16 Revision C.01 (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.
This article provides a deep dive into Gaussian 16 Rev C.01, covering:
By the end, you will have a thorough understanding of why Gaussian 16 Revision C.01 is recommended for production-level computational chemistry.
Revision C.01 introduced several significant new methods for computational chemistry:
g16 < input.com > output.log
For new users or those migrating from older Gaussian versions, here are typical input structures exploiting Rev C.01 features. gaussian 16 revision c.01
#p td=(nstates=10,root=1) b3lyp/6-31+G(d,p) scrf=(pcm,solvent=ethanol)
UV-Vis spectrum of coumarin 0 1 ...
Rev C.01 corrects an oscillator strength bug present in Rev A.02 for PCM/TD-DFT.
Source: Matter Modeling Stack Exchange / HPC Blog Posts Topic: Benchmarking Gaussian 16 C.01 GPU Acceleration
Gaussian has been slowly integrating GPU support, and Revision C.01 expanded this significantly. In the realm of computational chemistry, few software
[1] Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; et al. Gaussian 16, Revision C.01; Gaussian, Inc.: Wallingford, CT, 2016.
Based on your query, "Gaussian 16 Revision C.01" refers to a specific version of the Gaussian software package.
Here are the key details:
Key features introduced or stabilized in Rev C.01 include:
Common usage in scientific citations:
You will see papers citing: By the end, you will have a thorough
Gaussian 16, Revision C.01, M. J. Frisch, et al., Gaussian, Inc., Wallingford CT, 2019.
Note on licensing:
If you are looking for the actual software, it is commercial and requires a license from Gaussian, Inc. If you are a student or researcher, check if your university has a site license.
Are you looking for:
Run once to confirm:
g16 < /dev/null | grep "Revision"
Output: Gaussian 16: Rev C.01