We see this direct match between electronic structure theory and vibrational spectroscopy as an important complement to more traditional and well-established blind challenges in the field of protein 110 or crystal structure 111 prediction, where subtle energy differences also relate to zero point or thermal vibrational energy and thus anharmonicity treatments, besides getting the potential energy hypersurfaces right. This is even more obvious for the field of room temperature hydration , where an atomistic method which systematically predicts correct free energy differences for a good reason is likely to predict reliable vibrational shifts of monohydrates as well. However, there is a long path of convergence between rigorously atomistic and other, more empirical or approximate or machine-learning models which are more easily extendable