The auxiliary basis set, def2-TZVP/C, and Coulomb fitting set, def2/J, have been used for correlated calculations. TightSCF option has been used to tighten the convergence settings. The closed-shell singlet and quintet states have been calculated for TRI dimer, TRI-CC, TRI-CCCC and TRI-Ph, while the closed-shell singlet and triplet states have been calculated for the other molecules in the dataset.