On the other hand, the target selection has been specifically made to discuss the new imple- on the other hand, was selected to demonstrate how the JOYCE3.0 procedure can be straightforwardly extended to transition metal complexes (TMCs) of any symmetry, such as the square planar geometry used here. Finally, to highlight the high degree of accuracy encoded in our QMD-FFs, dithiophene (compound VII) was chosen as an example of potential novel mixed quantum-classical approaches in computational spectroscopy.