Solvent effects -especially by polar solvents -can also be observed in IR spectra. To the best of our knowledge, there is currently no implementation of analytical gradient or Hessian calculation for any COSMO-RS model, including openCOSMO-RS. It is our understanding that the derivation of a closed-form expression for gradients and higher-order derivatives for COSMO-RS is complicated by the presence of not continuously differentiable functions in the energy-interaction operator and the iterative solution procedure of the COSMO-RS equations. Therefore, (open)COSMO-RS can only provide free-energy weights for frequencies obtained for structures optimized in the gas phase or other implicit-solvent models like SMD. In contrast, the (QM-)GNNIS model is fully differentiable and allows analytical evaluation of gradients as used for geometry optimization and Hessians, which is a requirement for predicting vibrational frequencies along with all other physical properties that can be expressed as a derivative of the energy. This feature is for instance used here for the prediction of the vibrational frequencies observed in IR measurements.