Parameter a.u. Parameter a.u.
αxx - 53.3963 βxxx 13.79
αxy -0.2807 βxxy 0.9912
αyy -52.6869 βxyy 3.7575
αxz -0.9506 β yyy 0.8982
αyz -0.2339 βxxz 0.4223
αzz -59.5384 βxyz 0.6611
αot -55.2072 βyyz -0.7173
Δα 6.695 βxzz -9.9781
μx -0.5586 βyzz -1.0315
μy - 0.0696 βzzz 1.4772
μz 0.0731 βtot 2.940
μot 0.1611    
Table 8: The electronic dipole moment (μ) (Debye), polarizability (α) and first hyperpolarizability (β) of propylbenzene.