HOMO energy, LUMO energy, orbital energy gap, dipole moment, and polarizability data calculated at the B3LYP/6-31g(d,p) level.

Compound	E HOMO, eV	E LUMO, eV	ΔE, eV	Dipole moment, debye	Polarizability, bohr3
S6	−5.919	−2.526	3.393	6.305	370.67
S8	−6.300	−2.050	4.250	9.888	398.77
S10	−6.294	−2.050	4.244	9.917	421.86
S12	−6.295	−2.050	4.245	10.007	444.79