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| parameters | values (eV) |
|---|---|
| ELUMO (eV) | –2.5138 |
| EHOMO (eV) | –6.3132 |
| energy gap ΔE = ELUMO – EHOMO (eV) | 3.7994 |
| electron affinity: A = −ELUMO | 2.5138 |
| ionization potential: IP = −EHOMO | 6.3132 |
electronegativity:
|
1.7569 |
chemical potential: 
|
4.4135 |
chemical hardness:
|
1.8997 |
chemical softness:
|
0.2632 |
electrophilicity index: 
|
5.1268 |
