The revision provides specialized tools for calculating nuclear quadrupole resonance (NQR) frequencies, critical for interpreting spectroscopic data, particularly in doped boron nitride or similar inorganic complexes.
: Introduced GauOpen support for raw binary files using 4- or 8-byte integers . It also added information regarding ONIOM layers and optimization results to matrix element files . gaussian 16 revision c.01
Chemistry Hall (Feature Article) Title: Gaussian 16: New Features and Performance in Revision C.01 critical for interpreting spectroscopic data
: To effectively leverage GPU acceleration within this revision, hardware must utilize NVIDIA cards with 12 GB of onboard VRAM or higher , utilizing drivers compatible with NVIDIA CUDA 8.0 or later. gaussian 16 revision c.01