Figure shows how sensitive the position of optimal (α, ω) pairs for different electronic states is to both multiplicity and wavefunction character. For the T MC state, the resulting set of (α, ω) pairs (green points) is close to the corresponding set of the J 0 curve for the ground state (black curve). This could be expected, since the HOMO in the ground state is located on the central iron atom. Analogously, the optimal parameters for T MLCT are close to the J 1 set where the ligand-localized LUMO is considered. For the Q MC excited state, the results are more complicated. While this state can be clearly assigned to a double MC excitation, the optimal parameters (dark red curve in Fig. ) are closer to the "T MLCT tuning" condition (J 0 ) than to the "T MC " one (J 1 ). This fact might be connected with the higher multiplicity where strong exchange plays a greater role. Importantly, the optimal parameters of the (full) J * tuning of the electronic ground state fall in the middle of the J 0 valleys of the different excited state. Thus, they represent a good compromise to describe multiple states, as these parameters take into account information from both HOMO and LUMO.