Gaussian Output file analysis #DFT

Gaussian is a software program used for computational chemistry, which can generate output files containing the results of various calculations, such as energy values, molecular geometry, and electron density. These output files can be analyzed to extract useful information about the system being studied, such as the stability, reactivity, and potential energy surfaces of molecules. The specific method of analysis will depend on the type of calculation that was performed, as well as the specific information that is desired from the output file. Some common techniques include reviewing the optimization history of a molecular structure, analyzing the vibrational frequencies of a molecule, and plotting the potential energy surface of a reaction.