Shermo: A general code for calculating molecular thermochemistry properties

Abstract In this article, we present a stand-alone, versatile and flexible code named Shermo for calculating various thermochemistry data. This is compatible with mainstream quantum chemistry codes, has many unique advantages: The output information very clear easy to read; thermodynamic quantities can be fully decomposed contributions of sources gain deeper insight; temperature pressure conveniently scanned; two quasi-rigid-rotor harmonic oscillator (quasi-RRHO) models are supported properly deal low frequencies; different frequency scale factors simultaneously specified quantities; conformation weighted data directly evaluated; the easily run embedded into shell script automatically process large amount systems. We hope program will bring great convenience chemists in their daily research. freely obtained at http://sobereva.com/soft/shermo .