Description of the content of the zip repositories: 1) Gorin-Model - contains input and output files of all the Gorin Model calculations this includes data presented in the article and reproduction of the Teyssandier and Allendorf calculations 2) ME - contains input and output files of all Master Equation simulations this also includes the results of sensitivity analysis 3) Quantum-Data - contains all electronic structure calculations data this includes energies for the 2D contour plot, geometries, frequencies and energies of the species and spin orbit coupling energies (SOC) on important points along the minimum energy pathway 4) VRC-TST - contains VRC-TST input/output files