Comp.

ε_HOMO

(eV)

ε_LUMO

(eV)

η

(eV)

s

(eV)

χ

(eV)

GAP

(eV)

dip

(debye)

Ѡ

5

3.073

3.316

0.121

4.122

−3.195

0.242

1.115

0.619086

17

2.797

2.846

0.024

20.149

−2.822

0.049

3.161

0.049628

18

2.931

2.969

0.019

25.908

−2.950

0.038

2.772

0.038597

19

2.436

2.549

0.056

8.858

−2.492

0.112

4.464

0.112882

23

3.367

3.892

0.262

1.902

−3.630

0.525

12.45

1.731254