For the CCSD(T) calculations for O2 dimers the charge states neutral, cation and dication are considered. Both molecules are placed in a colinear arrangement, and their distance is varied (∆L ∈ ). The lowest-energy spin states taken, for example triplet states for isolated O 2 neutral molecules), and the interatomic distance ∆L is evaluated on a grid of 300 evenly distributed points. We compare the interaction energies obtained with our model against the energies from popular force field models: UFF , GAFF , and MMFF94S , using the OpenBabel software , and the TIP3P water model (only for water dimers calculations).