Our results test the MuFi method for four systems of broad scientific and industrial relevance. We chose oxygenated compounds that show interesting HR profiles. 1. For an alcohol -methyl furan dimer, we demonstrate that the mean of the GPR model provides a smooth, oscillation-free fit to the electronic structure data while providing information on uncertainties. 2. For pseudorotation of tetrahydrofuran (THF), the overall MuFi approach still yields good results despite LoFi methods yielding qualitatively wrong data. 3. For monomers and dimers of ethanol, HiFi data change the energetical order of conformations inferred from the LoFi method. 4. For dimethoxymethane (DMM) reactants and transition states (TSs), we demonstrate how optimal locations of further computation points can be predicted from Bayesian methods with our thermochemical acquisition function, paving a way to more efficient PES exploration.