| [Rh(µ-Cl)(COD)]2 | [Ir(µ-Cl)(COD)]2 | ||||
| Configuration | Energy | Relative Energy | Configuration | Energy | Relative Energy |
| (Hartree) | (kcal/mol) | (Hartree) | (kcal/mol) | ||
| D2 | −1766.07 | 0.00 | D2 | −1753.68 | 0.00 |
| D2h | −1766.06 | 5.88 | D2h | −1753.67 | 5.04 |