To study convergence with respect to the number of states included in the calculation, we computed the splittings between 2, 3, and 5 multiplets (10, 15, 25 electronic states with different spin-projections, respectively). This sequence was chosen to include the degenerate irreps of the point group. The values in in Table are very close to the experimentally derived result for (tpa Mes )Fe -of 158 cm -1 .