Type of component

Value with B3LYP/6-311++G

µ_x

0.883

µ_y

1.2814

µ_z

−0.5843

µ_t

1.5802

β_xxx

−139.047

β_xxy

−378.159

β_xyy

219.875

β_yyy

−60.230

β_xxz

11.4849

β_xyz

−3.733

β_yyz

9.092

β_xzz

1.599

β_yzz

22.057

β_zzz

−22.35

β_t

3.66