This means that we require a robust and efficient protocol for the search of low-energy conformers. To this end we rely on semiempirical and force-field methods from the GFN family, which have recently been established for this purpose. These are used in combination with CREST, which implements a purpose-built workflow for conformational search. Depending on the underlying energy function, the accuracy and computational cost of this search can vary significantly, however. We therefore tested three different workflows, denoted as conf1-3.