Gaussian 16w Download Upd _verified_ 💫

, released to support NVIDIA A100 GPUs and the NVIDIA HPC SDK. Gaussian.com Update Availability : Users with a valid Gaussian Maintenance Program

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| | Description | | :--- | :--- | | NBO 7 Support | Includes Natural Bond Orbital (NBO) 7 analysis for deeper charge and bonding insights. | | New DFT Functionals | Adds several density functionals (M08HX, MN15, MN15L). | | Double-Hybrid Methods | Adds new double-hybrid methods for higher-accuracy calculations. | | Excited State Properties | Computes Raman intensities and other properties for excited states. | | RESP Constraints | Adds restrained electrostatic potential (RESP) constraints for deriving atomic charges. | | PM7 Semi‑Empirical | Adds the latest PM7 semi‑empirical method for fast calculations on large systems. | , released to support NVIDIA A100 GPUs and