E α,0 , Eβ,0HOMO, Eα,0LOMO, Eβ,0LOMO energies, chemical potential μ, chemical hardness η, softness S°, electrophilicity index ω° and dipole moment μ of the OH˙.
| E α,0 | −9.74 |
| E β,0 | −9.00 |
| E α,0 | −1.21 |
| E β,0 | −5.07 |
| μ° | −7.40 |
| η° | 4.67 |
| S° | 0.21 |
| ω° | 5.87 |
| N 0 | — |
| Dipole moment | 2.07 |