Entry | εHOMO | εLUMO | Gap | Hardness | Softness | chemical potential | electronegativity | electrophilicity |
1 | −6.55619 | −0.08953 | 6.46666 | 3.23333 | 0.30928 | −3.32286 | 3.32286 | 1.70743 |
2 | −6.53088 | −0.10368 | 6.42720 | 3.21360 | 0.31118 | −3.31728 | 3.31728 | 1.71215 |
3 | −6.52408 | −0.08109 | 6.44299 | 3.22149 | 0.31042 | −3.30258 | 3.30258 | 1.69286 |
4 | −6.50176 | −0.27647 | 6.22529 | 3.11264 | 0.32127 | −3.38912 | 3.38912 | 1.84507 |
5 | −6.68055 | −0.32872 | 6.35183 | 3.17591 | 0.31487 | −3.50463 | 3.50463 | 1.93369 |
6 | −6.70857 | −0.10449 | 6.60408 | 3.30204 | 0.30284 | −3.40653 | 3.40653 | 1.75717 |
7 | −6.53415 | −0.11919 | 6.41496 | 3.20748 | 0.31177 | −3.32667 | 3.32667 | 1.72514 |