A Dynamic and Responsive Host in Action Light-Controlled Molecular Encapsulation

This data contains the geometries, energies, frequency, solvent, and PES scan calculations. The files are compressed as tarballs.MD.tar.gz and warehouse.tar.gz contain preliminary data and test calculations not explicitly mentioned in the publication. As we plan to include a link to this data in the final version of the article we prefer to keep restricted the access to this part of the data.