The planar TRI(N)-TRI(N) has C2h symmetry, where it is by 5.98 kJ/mol more stable than in the D2h configuration. To substantiate that the predicted FM interaction is independent of the DFT functional chosen, we have recalculated the J value with other functionals, including B3LYP, MN15, M06-2X, and ωB97XD, giving 1.2, 1.6, 0.9 and 3.0 meV, respectively (Table ). Similarly, as the value of φ increases, K and t decrease, and positive J values are observed when φ exceeds 70º.