Descriptor

Value

Descriptor

Value

EHOMO (eV)

–5.8680

I (eV)

5.8680

ELUMO (eV)

–2.0510

A (eV)

2.0510

ΔE (eV)

3.8170

μ (Debye)

5.9293

ΔN

0.0840

η (eV)

1.9085

S (eV−1)

0.5240

ω

4.1073

χ (eV)

3.9595

TE (a.u)

−2215.3776