This work uses data from electronic structure methods to generate PES data at various fidelities. These data are combined using MuFi modeling, where different choices of the kernel are possible. The MuFi PES is subject to statistical mechanics methods to obtain thermochemical and kinetic data. To predict optimal further calculations, Bayesian theory with a problem-oriented acquisition function is applied. Electronic structure methods provide optimizations (also PES scans), frequencies, and single-point energies for our study. These data are mostly taken from previous studies. The methods comprise for LoFi: 1. the hybrid DFT functional b3lyp with a tzvp Ahlrichs basis set 20 , 2. the double-hybrid DFT functional b2plyp with Grimme's D3 dispersion correction and a 6-311++g(d,p) Pople basis set , and 3. Møller-Plesset perturbation theory of second order (MP2) wave function theory with cc-pvdz Dunning basis set . For HiFi, they comprise data from: 1. Resolution-of-the-Identity-MP2 and extrapolated aug-cc-pv(t,q)z basis set 20 , 2. MP2 with aug-cc-pvtz 32 , and 3. DLPNO-coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) with extrapolated aug-cc-pv(t,q)z basis set .