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| molecule | Eint (eV) | Epauli (eV) | Eorb (eV) | Eelstat (eV) | Edisp (eV) |
|---|---|---|---|---|---|
| phenol | –0.938 | 1.669 | –0.448 | –0.835 | –1.326 |
| catechol | –1.062 | 1.958 | –0.537 | –1.028 | –1.455 |
