Gaussian 16 Revision C.01 Jun 2026

: Supported on x86_64, IA32, Power, and ARM architectures across Linux, AIX, and MacOS.

: By pairing Volta's tensor-heavy framework with G16’s integral evaluation routines, users experience an order-of-magnitude reduction in time-to-solution for large-molecule ground state calculations. Network Parallelism with Linda 9.2

: Utilizing network parallel features in Revision C.01 requires Linda 9.2 ; older versions are incompatible with this revision. gaussian 16 revision c.01

Water molecule optimization O H 1 0.96 H 1 0.96 2 104.5

Utilizing TD-DFT to study UV-Vis spectra and photochemistry. : Supported on x86_64, IA32, Power, and ARM

Gaussian 16 stands as a cornerstone in computational chemistry, providing an extensive suite of methods for predicting molecular structures, energies, and vibrational spectra. The release continues this legacy, introducing critical performance enhancements, improved algorithm stability, and expanded functionality for modeling complex chemical systems. What is Gaussian 16 Revision C.01?

: Set the GAUSS_SCRDIR environment variable to a local fast drive rather than a network-mounted file system (NFS). 🧪 Common Applications and Use Cases Water molecule optimization O H 1 0

| Feature | Route keyword | Notes | |---------|---------------|-------| | DFT-D3(BJ) | EmpiricalDispersion=GD3BJ | Becke-Johnson damping; more accurate for non-covalent interactions. | | RIJCOSX (HFX) | RIJCOSX | Speeds up HF exchange in hybrid functionals (e.g., B3LYP). | | PCM improvements | SCRF=(Solvent=water,Read) | Better convergence for large solutes. | | ONIOM with ECP | ONIOM | Better QM/MM electrostatics handling. | | GenECP | GenECP | User-specified basis sets and pseudopotentials; reading order clarified. |

GPUs, enabling much faster Hartree-Fock and DFT calculations [11, 14]. Architecture Versatility: