Research Article

Structural and Vibrational Investigation of Benzil-(1,2-Diphenylethane-1,2-Dione): Experimental and Theoretical Studies

Table 5

The electric dipole moment (D). The average polarizability (×10-24 esu) and first hyperpolarizability (×10-31 esu).

ParametersB3LYP/6-311G(d,p)ParametersB3LYP/6-311G(d,p)

00.0001
0-0.0003
-3.4881-0.0001
(D)3.4881-0.0005
-69.629-31.1348
-0.795-17.2186
-92.195-15.0123
0.0000.0003
-0.00010.0002
-98.79366.8288
(e.s.u) (e.s.u)