* Corresponding authors

^a Institut für theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Vienna, Austria
E-mail: leticia.gonzalez@univie.ac.at

^b ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
E-mail: markus.reiher@phys.chem.ethz.ch

^c Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, Box 518, 751 20 Uppsala, Sweden

^d Dipartimento di Chimica ‘‘G. Ciamician’’, Università di Bologna, V. F. Selmi 2, 40126 Bologna, Italy

^e Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway

^f Uppsala Center for Computational Chemistry - UC3, Uppsala University, Box 518, 751 20 Uppsala, Sweden