Experimental Pickett Fits of the Fluoroiodobenzenes

<p>We provide the experimental fit files, obtained with Pickett’s SPFIT/SPCAT (32-bit version) programs with Kisiel’s graphical interface AABS. PIFORM (version
31.XII.2016) was used for reformatting the fit output file. In all cases the Watson S reduction of the Hamiltonian in the Ir representation was employed. In case of iodobenzene, the data taken from O. Dorosh, E. Białkowska-Jaworska, Z. Kisiel and
L. Pszczółkowski, <i>J. Mol. Spectrosc.</i>, <b>2007</b>, 246, 228–232 <a href="https://doi.org/10.1016/j.jms.2007.09.010">DOI: 10.1016/j.jms.2007.09.010</a> was refitted, as the original
fit uses the Watson A reduction in the Ir representation.</p>

<p>Additionally, QDIAG version 1a.I.1998 outputs are provided.</p>

<p>The nomenclature follows Fig. 1 of the main publication which is also attached (nomenclature.pdf). All files provided are in an ASCII format.</p>