cclib: Computational Chemistry Parsers

cclib is an open-source Python library designed for parsing and interpreting output files from various computational chemistry packages. It provides a consistent interface to extract data like geometries, energies, orbitals, and vibrational modes, facilitating the implementation of package-independent algorithms. The current stable version is 1.8.1, with a major version 2.0 actively in alpha development, which is expected to introduce significant architectural and API changes.