Gaussian is an all-purpose computational chemistry software package, first published in 1970 by John Pople and his research team, and has been constantly updated since then. This software can perform quantum mechanical calculations to study chemical systems and is one of the most widely used software in this field. In this workshop, the following materials were presented to the participants. 1- An introduction to applications of quantum mechanical methods in chemistry 2- Preparation of Gaussian input files 3- Geometry optimization 4- Single point calculations 5- Frequency calculations 6- Locating and optimizing transition states 7- Data extraction from Gaussian output files
