: Several enhancements were made to the GEDIIS optimization algorithm to improve convergence for difficult geometry optimizations.
One of the most praised aspects of C.01 is the increased robustness of the optimization algorithm. Researchers dealing with "floppy" molecules or shallow potential energy surfaces will find that Revision C.01 reaches convergence in fewer steps compared to earlier iterations. Key Features for the Modern Researcher Enhanced Solvation Models gaussian 16 revision c.01
Revision C.01 is not a new major version (like G16 vs. G20), but it is a critical maintenance and refinement patch. Users migrating from Revision A.03 or B.01 will find substantial improvements in stability and numerical robustness. : Several enhancements were made to the GEDIIS
keyword, facilitating the use of external programs with specific ONIOM layers. Gaussian.com Critical Bug Fixes Revision C.01 addressed a wide range of technical issues: Gaussian.com Vibrational Analysis : Fixed issues with Freq=Anharmonic Key Features for the Modern Researcher Enhanced Solvation