: Supports modeling of excited state potential energy surfaces using methods like TD-DFT and CASSCF. System Requirements for Gaussian 16W

Note: All users must have read-write access to the designated "scratch" directory for temporary files.

: Includes a wide variety of Density Functional Theory (DFT) functionals (e.g., B3LYP, MN15) and Hartree-Fock (HF) methods.

: Gaussian 16W predicts various spectra, including IR, Raman, NMR, and UV/Visible . It also supports vibronic spectra to account for the coupling between vibrational and electronic states. Advanced Computational Methods :

is a comprehensive electronic structure modeling software designed specifically for the Microsoft Windows environment. As the Windows-based version of the industry-standard Gaussian 16, it allows researchers to predict molecular energies, structures, and vibrational frequencies based on the fundamental laws of quantum mechanics. Key Features and Capabilities

The typical workflow for Gaussian 16W involves three main steps:

: Users can locate transition structures using methods like QST2 and QST3, and then follow the Intrinsic Reaction Coordinate (IRC) to map the entire reaction path from reactants to products.

Gaussian 16W is available in both 32-bit and 64-bit versions, with the latter offering significantly more power for modern hardware. 64-bit Version (Recommended) 32-bit Version AMD64 or Intel64 (EM64T) Intel Pentium 4 or AMD Athlon OS Support Windows 7, 8, 8.1, 10, 11, Server 2012/2019 Windows XP, 7, 8, 8.1, 10, 11 Memory (RAM) Disk Space 1.5 GB (Software) + 2 GB (Scratch) 1.7 GB (Software) + 500 MB (Scratch) Parallelism Unlimited processors/cores (shared memory) Single or limited multiprocessor