Gaussian 16w __top__ Jun 2026

Currently, Gaussian 16W is x64-only. It may run under emulation on Snapdragon X Elite chips, but without support.

SCF Done: E(RwB97XD) = -2247.38210459 Maximum Force 0.000112 0.000450 YES RMS Force 0.000054 0.000300 YES Maximum Displacement 0.001234 0.001800 YES RMS Displacement 0.000623 0.001200 YES

Calculates NMR chemical shifts and spin-spin coupling constants. gaussian 16w

GaussView is a graphical user interface designed to help prepare Gaussian input files and examine Gaussian output graphically. The combination of Gaussian 16W (the computational engine) and GaussView (the visualization tool) forms a complete quantum chemistry workbench. With GaussView, you can:

18;write_to_target_document7;default0;89a;0;31e;0;a07;18;write_to_target_document1b;_d17tadmpAd-T4-EPkpGa2AU_100;fa4;0;2199; Gaussian (Software) - ResearchGate Currently, Gaussian 16W is x64-only

Predicts Infrared (IR), Raman, VCD (Vibrational Circular Dichroism), and ROA (Raman Optical Activity) spectra.

The system requirements for Gaussian 16 include: GaussView is a graphical user interface designed to

Intel Core i7/i9 or AMD Ryzen 7/9 (4 to 16 physical cores are highly utilized by parallel processing).

| Software | Platform | Cost | Best For | |----------|----------|------|----------| | | Windows | High (proprietary) | Generalist DFT, excited states, freq, solvation | | ORCA | Windows/Linux | Free for academic | Spectroscopy, open-shell, relativistic effects | | NWChem | Linux only (WSL on Windows) | Free | Large-scale parallel DFT, QMD | | CP2K | Linux (WSL) | Free | AIMD, large systems (>1000 atoms) | | GAMESS | Windows/Linux | Free | Transition states, MCSCF, QM/MM |

Which or spectra (NMR, IR, UV-Vis, transition states) are you looking to predict?

Uses the Self-Consistent Reaction Field (SCRF) framework, featuring the Polarizable Continuum Model (PCM) and SMD to simulate molecules in liquid solutions.