Rank

Compound

HOMO (eV)

LUMO (eV)

ΔE (eV)

1

6

−9.9813

−0.3639

9.6174

2

5

−8.8771

−0.9404

7.9367

3

4

−9.4930

−0.1780

9.3150

4

3

−9.3955

−0.1076

9.2879

5

2

−9.7155

−0.1492

9.5663

6

1

−9.5951

−0.3767

9.2184