Gaussian 16 Revision C.01 Review

A powerful new option allows for recomputing force constants every

A major highlight of Revision C.01 is its expanded support for modern hardware: gaussian 16 revision c.01

All density functional theory (DFT) and ab initio calculations were performed using the Gaussian 16 software package, Revision C.01 [1]. Geometry optimizations and frequency calculations were carried out using the [insert functional, e.g., B3LYP] functional in conjunction with the [insert basis set, e.g., 6-31G(d)] basis set. Stationary points were characterized as minima (no imaginary frequencies) or transition states (one imaginary frequency) by vibrational analysis. Single-point energy calculations were refined using the [insert higher level method, e.g., M06-2X] functional and the [insert larger basis set, e.g., 6-311+G(d,p)] basis set. Solvent effects were modeled using the polarizable continuum model (PCM) [2] with [insert solvent, e.g., water] where applicable. All optimized structures were visualized using [insert visualization software, e.g., GaussView 6]. A powerful new option allows for recomputing force

Gaussian 16 is a commercial software package developed by Gaussian, Inc. It is designed to perform a wide range of computational chemistry tasks, including: Gaussian 16 is a commercial software package developed