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Gaussian 16 Revision C.01 is a specific update (revision) of the Gaussian 16 quantum chemistry software package. Since you haven't specified exactly what you are looking for (e.g., "What's new?", "How to install?", "How to cite?"), I will provide a comprehensive overview of the key features, changes, and improvements introduced specifically in Revision C.01.

Here are the key features and changes introduced in Gaussian 16 Rev C.01:

Gaussian 16 Revision C.01: Enhancing Computational Chemistry Performance

The release of Gaussian 16 Revision C.01 marked a significant milestone for computational chemists, bringing a suite of performance optimizations, bug fixes, and hardware compatibility updates to one of the industry's most essential software packages. While Gaussian 16 introduced groundbreaking features like the GMMX conformer search and improved TD-DFT gradients, Revision C.01 focuses on refining the user experience and ensuring the code runs efficiently on modern high-performance computing (HPC) architectures.

In this article, we explore the key updates in Revision C.01, why they matter for your research, and how to maximize the software’s potential. 1. Optimized Performance for Modern CPUs

One of the primary drivers behind Revision C.01 is the optimization for newer processor architectures. Gaussian has always been highly sensitive to CPU instructions (like AVX-2 and AVX-512). This revision includes:

Improved Parallelization: Enhanced scaling for shared-memory (OMP) and distributed-memory (Linda) parallelization, reducing "bottleneck" times during large-scale frequency calculations.

Vectorization Enhancements: Refined instruction sets that allow the software to process larger chunks of data simultaneously, which is particularly noticeable in large molecule DFT calculations. 2. Expanded Functional and Basis Set Support

While Gaussian 16 originally introduced a massive library of functionals, Revision C.01 continues to tweak the implementation of newer methods.

Better Convergence: The revision includes improved default settings for the SCF (Self-Consistent Field) procedure, helping difficult systems converge more reliably.

Extended Basis Sets: Updates to the internal library of basis sets ensure that the latest parameters for heavy elements and transition metals are accurate and accessible. 3. Stability Improvements and Bug Fixes

Scientific software is only as good as its reliability. Revision C.01 addresses several edge-case bugs found in previous versions (A.03 and B.01):

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

I/O Handling: Improved handling of large .chk (checkpoint) files, which often caused bottlenecks on slower disk arrays.

Polarizability Fixes: Specifically, refinements to how Raman intensities and frequency-dependent polarizabilities are handled for specific molecular symmetries. 4. Key Features Carried Forward

Users upgrading to Revision C.01 from older versions (like Gaussian 09) will still benefit from the core Gaussian 16 advancements that this revision polishes:

Anharmonic Vibrational Spectroscopy: More robust calculations for VCD and ROA.

EOM-CC Enhancements: Faster methods for calculating excited states of larger systems.

Solvation Models: Refined PCM (Polarizable Continuum Model) implementations for more accurate modeling of molecules in liquid environments. 5. System Requirements and Installation

Gaussian 16 Revision C.01 is available for Linux, Windows, and macOS (Intel-based). To get the most out of this revision, ensure your hardware meets the following:

Storage: Fast SSDs or NVMe drives are highly recommended for scratch space, as Gaussian performs heavy I/O operations.

Memory: At least 2GB of RAM per core is the standard baseline; however, Revision C.01's efficiency allows for better performance on memory-constrained systems than previous iterations. Conclusion

Gaussian 16 Revision C.01 isn't just a minor patch; it is a vital update for researchers who require maximum stability and speed. By streamlining the code for modern hardware and ironing out the complexities of advanced electronic structure methods, Revision C.01 ensures that Gaussian remains the gold standard for computational chemistry.

Whether you are studying small organic molecules or large catalytic complexes, this revision provides the reliability needed for high-impact peer-reviewed research.

Gaussian 16 Revision C.01 is a maintenance and performance update for the Gaussian electronic structure modeling suite. This specific revision focuses on improving parallel efficiency and expanding hardware compatibility, particularly for High-Performance Computing (HPC) environments. Key Performance and Algorithm Improvements

Revision C.01 introduced several refinements to calculation efficiency:

Parallel Efficiency: Significant improvements were made to parallel performance on systems with large numbers of processors.

Linda Parallelism: The update established dynamic task allocation as the default for Linda workers, which helps balance workloads more effectively across network-parallel clusters.

Memory Optimization: The revision uses an optimized memory algorithm specifically designed to avoid I/O bottlenecks during CCSD iterations.

GEDIIS Algorithm: Multiple enhancements were applied to the GEDIIS optimization algorithm to improve geometry convergence.

CASSCF Scaling: Active space calculations were improved to make spaces of up to 16 orbitals feasible for larger molecular systems. Hardware Support and Compatibility

A major highlight of Revision C.01 is its expanded support for modern hardware:

GPU Acceleration: This revision introduced official support for NVIDIA V100 (Volta) GPUs on Linux systems.

Network Parallelism: Utilizing network parallel features in Revision C.01 requires Linda 9.2; older versions are incompatible with this revision.

Instruction Sets: Binaries are often specifically built for AVX2-enabled platforms to leverage modern CPU vector instructions. Proper Citation

When publishing research using this specific build, the Official Gaussian Citation should reflect the revision:

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. 2 requirements for this revision? Citation - Gaussian.com

Gaussian 16, Revision C. 01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, Gaussian.com Gaussian 16 Rev. C.01/C.02 Release Notes | Gaussian.com

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:

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:

Gaussian 16 Revision C.01: A Comprehensive Overview

Gaussian 16 is a widely used computational chemistry software package that enables researchers to study the properties and behavior of molecules using quantum mechanics and molecular mechanics methods. The latest revision, C.01, offers a range of new features, improvements, and bug fixes that enhance the overall performance and accuracy of the software. In this article, we will provide an in-depth review of Gaussian 16 Revision C.01, highlighting its key features, capabilities, and applications.

Introduction to Gaussian 16

Gaussian 16 is a commercial software package developed by Gaussian, Inc. It is designed to perform a wide range of computational chemistry tasks, including:

New Features in Gaussian 16 Revision C.01

The C.01 revision of Gaussian 16 introduces several new features and improvements, including:

Applications of Gaussian 16 Revision C.01

Gaussian 16 C.01 has a wide range of applications across various fields, including:

Conclusion

Gaussian 16 Revision C.01 is a powerful computational chemistry software package that offers a range of new features, improvements, and bug fixes. Its capabilities span from quantum mechanics and molecular mechanics calculations to thermochemistry and kinetics. The software is widely used across various fields, including materials science, catalysis, biochemistry, and organic and inorganic chemistry. With its enhanced performance, accuracy, and functionality, Gaussian 16 C.01 is an essential tool for researchers seeking to understand and predict the behavior of molecules.

System Requirements and Availability

Gaussian 16 Revision C.01 is available for various platforms, including:

The software requires a minimum of 8 GB RAM, a 64-bit processor, and a compatible graphics card. For more information on system requirements and purchasing options, visit the Gaussian, Inc. website.

References

By providing a comprehensive overview of Gaussian 16 Revision C.01, we hope to facilitate the use of this powerful software package and enable researchers to perform accurate and efficient computational chemistry studies.

Revision C.01 introduced several significant new methods for computational chemistry:

Source: Chemistry Hall (Feature Article) Title: Gaussian 16: New Features and Performance in Revision C.01

This is widely considered one of the best high-level overviews of the software. It doesn't just list features; it explains why they matter.

Unlike open-source codes, Gaussian is distributed as precompiled binaries. However, administrators must ensure:

Gaussian 16 Revision C.01 is a release of the Gaussian suite of electronic-structure programs used for computational chemistry. It implements a wide range of quantum chemical methods (Hartree–Fock, density functional theory, post‑Hartree–Fock correlated methods such as Møller–Plesset perturbation theory and coupled-cluster theory), basis sets, excited-state methods, and utilities for molecular properties, spectra, and reaction modeling. Revision C.01 is a maintenance/bugfix update in the Gaussian 16 lineage that preserves core functionality while addressing stability, performance, and small-feature adjustments relative to prior revisions.

Thus, Gaussian 16 Rev C.01 is considered the "gold standard" for production work where reliability is paramount.