| Molecule | Etotal (Kcal/mol) | Emolecule (Kcal/mol) | Esurface (Kcal/mol) | Eadsorption (Kcal/mol) |
| OWES | −164461.51 | 28.03 | −164069.75 | −419.79 |
| OWEE | −164268.08 | 97.26 | −164038.75 | −326.59 |