This is an old repository that will be deprecated. Please use the IQmol3 repo.

This is IQmol, a molecular builder and visualization package written by Andrew Gilbert. IQmol is able to build molecules, set up and submit input for Q-Chem calculations, and analyse the output. Analyses include display of molecular surfaces (densites, molecular orbitals) and animations of frequencies and reaction pathways. A user guide can be found in the doc directory.

For an up-to-date list of features and pre-compiled binaries, please visit the website: http://iqmol.org

Platform dependent install instructions can be found in the doc directory.