The dataset of interatomic distances between the atoms, not linked with a covalent bond

<p><strong>non-bonded_b3lyp.txt&nbsp;&nbsp; non-bonded_B97-3c.txt&nbsp;&nbsp; non-bonded_PBEh-3c.txt </strong>- the datasets of the atomic pairs, not linked with a covalent bond. Each line in each file has the following format:</p> <p><em>Element Element </em>0<em> MoleculeId AtomId1 AtomId2</em></p> <p>Here <em>MoleculeId </em>is the same as identifiers used in the dataset of covalent bond lengths resulting from the first-principle calculations, available at <a href="https://doi.org/10.5281/zenodo.2631844">https://doi.org/10.5281/zenodo.2631844</a> (the underlying optimized molecular geometries are available via this link as well).</p>