10.26165/JUELICH-DATA/NHQKSJ Anja Haags0000-0001-9117-8805(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany)Dominik Brandstetter0000-0002-0434-1289(Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria)Xiaosheng Yang0000-0002-7632-0401(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany)Larissa Egger0000-0001-6723-9110(Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria)Hans Kirschner0000-0003-0489-928X(Physikalisch-Technische Bundesanstalt (PTB), 10587 Berlin, Germany)Alexander Gottwald0000-0003-2810-7419(Physikalisch-Technische Bundesanstalt (PTB), 10587 Berlin, Germany)Mathias Richter0000-0001-8252-8869(Physikalisch-Technische Bundesanstalt (PTB), 10587 Berlin, Germany)Georg Koller0000-0001-7741-2394(Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria)François C. Bocquet0000-0002-9471-4439(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany)Christian Wagner0000-0002-2117-6289(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany)Michael G. Ramsey0000-0003-0523-1994(Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria)Serguei Soubatch0000-0002-1455-0260(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany)Peter Puschnig0000-0002-8057-7795(Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria)F. Stefan Tautz0000-0003-3583-2379(Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) Jülich DATA 2025 We provide here the raw data used to produce Figures and Tables in Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, Mathias Richter, Georg Koller, Francois C. Bocquet, Christian Wagner, Michael G. Ramsey, Serguei Soubatch, Peter Puschnig, and F. Stefan Tautz, "Tomographic identification of all molecular orbitals in a wide binding-energy range" Physical Review B 111, 165402 (2025), DOI: 10.1103/PhysRevB.111.165402 Subach, Sergey(Forschungszentrum Jülich)