Gaussian 16 Revision C.01 'link' Jun 2026

5–8% reduction in total wall time due to faster SCF convergence. 80 Atoms (True Analytical)

Ultraviolet-Visible (UV-Vis) absorption and emission spectra via TD-DFT

While not a "release note," many computational chemists write comparative blogs when new revisions drop.

%chk=benzene_opt.chk %nprocshared=16 %mem=32GB #p opt freq wB97X-V/def2-TZVPPD scrf=(smd,solvent=water) gaussian 16 revision c.01

: Starting with Revision C.01, Linda 9.2 is required for network parallel processing; older versions are incompatible.

: Complete Active Space Self-Consistent Field (CASSCF) calculations are now feasible for active spaces up to 16 orbitals, depending on the system. This allows for more accurate treatment of transition metals and excited states in larger molecular frameworks. Geometric Flexiblity

Thermochemical recipes including G1-G4 expressions and CBS models. 4. Hardware and Performance Optimization 5–8% reduction in total wall time due to

While Revision C.01 adds specific technical features, it retains the powerful modeling capabilities of the Gaussian 16 suite : Feature Type Capabilities

Researchers often encounter "oscillation" issues when optimizing transition states or large, flexible molecules. Revision C.01 includes updated default settings for the GEDIIS optimizer and better handling of redundant internal coordinates, leading to faster convergence in tricky potential energy surfaces (PES). 4. Integration with GaussView 6

: Multiple enhancements were applied to the GEDIIS optimization algorithm to improve geometry convergence. including the M08 family

: This revision significantly expanded the DFT toolkit with several new functionals, including the M08 family, MN15, and MN15L . It also introduced new double-hybrid methods such as DSDPBEP86 and PBE0DH. For faster, approximate calculations, Rev. C.01 added the PM7 semi-empirical method to its arsenal.

The software continues to push the boundaries of what is "computable" for standard research labs. CASSCF Performance