Isolation, Identification, Molecular and Electronic Structure, Vibrational Spectroscopic Investigation, and Anti-HIV-1 Activity of Karanjin Using Density Functional Theory

Table 8

Polarizability and hyperpolarizability of Karanjin.

Polarizability	Values	Hyperpolarizability	Values
𝛼𝑋𝑋	−109.2190	𝛽𝑋𝑋𝑋	22.0796
𝛼𝑋𝑌	3.9546	𝛽𝑋𝑋𝑌	−8.6890
𝛼𝑌𝑌	−121.6217	𝛽𝑋𝑌𝑌	−2.3092
𝛼𝑌𝑍	1.5294	𝛽𝑌𝑌𝑌	−61.3104
𝛼𝑍𝑍	−127.8736	𝛽𝑋𝑋𝑍	−8.1237
𝛼𝑋𝑍	0.5918	𝛽𝑋𝑌𝑍	1.2207
<𝛼>	119.5714	𝛽𝑌𝑌𝑍	22.2892
—	—	𝛽𝑋𝑍𝑍	1.4229
—	—	𝛽𝑌𝑍𝑍	11.6211
—	—	𝛽𝑍𝑍𝑍	0.2894
—	—	𝛽Total	63.6404