Table 6. Computed First Hyperpolarizabilities (β_tot) and Major Contributing Tensor (au) of the Compounds.

hyperpolarizability	CPFH	CCPH	BCPH
βxxx	188.670	104.743	–64.403
βxxy	–113.090	145.946	–151.038
βxyy	–15.569	–18.288	–24.725
βyyy	237.472	–263.772	271.761
βxxz	–0.060	0.021	–0.364
βyyz	0.019	–0.001	–0.006
βxzz	–2.111	–1.700	–2.535
βyzz	40.011	–44.169	43.996
βzzz	0.065	–0.002	–0.023
βtot	237.197	182.828	188.506