Gaussian is one of the most well-known and widely used computational chemistry software programs. It is used for calculations and analyses related to molecular chemistry, physical chemistry, and quantum chemistry. Due to its advanced capabilities, Gaussian is primarily utilized by chemists, physicists, and computational scientists. This software can perform various calculations, including molecular structure determination, electronic properties analysis, energy and enthalpy calculations, and different types of molecular interactions analysis.
Although Gaussian is a powerful and useful tool, it requires expertise and a deep understanding of computational chemistry to fully utilize its capabilities.