Gaussian is an application that enables users to do electronic structure modeling for molecules and atoms. It is utilized in a variety of disciplines, such as biochemistry, chemical engineering, physics, chemistry, and other related industries. It makes use of the fundamental laws of quantum mechanics in computing and predicting the molecular structures, energy outputs, molecular properties, chemical reactions, and vibrational frequencies of objects in a chemical environment. It provides users with reliable, complete, and accurate models that are applicable in both stable species and compounds that may be impossible or difficult to observe in an experimental setting. Its advanced modeling capabilities enable users to model larger systems, as well as complex problems pertaining to molecular modeling.
Among the features of Gaussian are the following:
• Simple calculation setup – the process of setting up calculations is straightforward, and complex calculations can be automated to add to the program’s ease of use
• Flexible options – with this feature, users can have complete control over the details of their calculations as necessary
• System versatility – this application may be used in a variety of working environments, whether it is a single computer unit or within a network with multiple processors
• Method variety – its use of multiple methods makes the program applicable to a vast range of problem sizes and chemical conditions utilizing the entire periodic table of elements