Table 7.

Dipole moment (μ), average polarizability ( $\overline{\mathrm{\alpha }}$ ), anisotropy of polarizability (Δα), molar refractivity (MR), first-order susceptibility tensor (χ ⁽¹⁾) and average electric susceptibility (χ _e) in static mode of styrene monomer.

parameters/method	B3LYP	ωB97XD
μ (D)	0.192	0.149
$\overline{\mathrm{\alpha }}$ (×10−24 esu)	12.958	12.638
Δα (×10−24 esu)	12.504	11.702
MR (esu mol−1)	32.691	31.885
χ(1) xx	3.155	3.211
χ(1) xy	0.122	0.134
χ(1) yy	2.153	2.269
χ(1) xz	0.000	0.009
χ(1) yz	0.000	0.027
χ(1) zz	0.876	0.948
χe	2.062	2.143