All DFT energies from a consistent set of calculations create a local thermochemical network anchored to the same QM zero of energy. This local thermochemical network can be used to determine the relative quantities of interest for the researcher to evaluate the energetics of possible pathways of a mechanism . However, using the DFT reference energy frame is inconvenient when comparing data from different sources, codes, and different levels of fidelity because the internal reference may change by tens or hundreds of eV depending on the code, pseudopotentials, or numerical settings selected. Therefore, converting the QM energies from the original internal electronic reference frame to an atomic reference basis set allows for easier data evaluation and comparison.