Table 9.

The molecular electric dipole moments (μ), Polarizability (α) and hyperpolarizability (β_tot) values of compound 3.

Parameters	Values (a.u.)	Parameters	Values (a.u.)
μx	−2.777	βxxx	−108.6
μy	−2.661	βxyy	−40.04
μz	1.053	βxzz	−102.2
μ	3.9875 Debye	βyyy	−30.59
αxx	244.98	βxxy	15.099
αyy	−0.241	βyzz	13.139
αzz	121.24	βzzz	50.252
αxy	−0.262	βxxz	−11.92
αxz	−0.277	βyyz	10.939
αyz	48.827	βxyz	5.3534
α	18.07941 × 10−24 esu	βtot	2.208 × 10−30 esu