Table 1
| Molecule | Exo dimer 1 | Endo dimer 2 | Difference |
|---|---|---|---|
| Stretch | 1.27 | 1.26 | -0.01 |
| Bend | 20.58 | 20.84 | 0.26 |
| Stretch-Bend | -0.84 | -0.84 | 0.00 |
| Torsion | 7.67 | 9.51 | 1.84 |
| Non 1,4-VdW | -1.42 | -1.56 | -0.14 |
| 1,4-VdW | 4.24 | 4.33 | 0.09 |
| Dipole-Dipole | 0.38 | 0.45 | 0.07 |
| Total | 31.88 | 34.00 | 2.12 |
All energies given in kcal/mol