Xe···OCS: Relatively straightforward?

Supporting information archive for the theoretical and experimental investigation of the structure of the Xe···OCS weakly-bound dimer. Submitted version. Contains: <strong>binding_energies.ods</strong>: a table of binding energies for the studied complexes, calculated using the Lennard-Jones model as well as supermolecular approach <strong>isotopologue_data.ods</strong>: a list of tables with experimental rotational constants and DFT-based vibrational corrections for each isotopologue of each complex <strong>experimental_v01.zip</strong>: an archive containing all SPFIT / Pickett files for the Xe···OCS complex, as well as all CONVC files for the other complexes <strong>calculations_v02.zip</strong>: an archive with all <em>ab initio<strong> </strong></em>calculations used in this study, including CFOUR, Gaussian and Psi4 data <strong>structures_v01.zip</strong>: an archive of STRFIT input and output files as well as the r₀, r_e^SE, and r_m⁽²⁾ structures in XYZ format.