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. 2023 Dec 15;9(1):837–857. doi: 10.1021/acsomega.3c06841

Table 5. NLO Properties of (3)a.

dipole moment μ (Debye) polarizability (α) a.u. hyperpolarizability (β) a.u.
μx –4.3218 αxx 134.926 βxxx –153.69
μy –3.0768 αxy 8.8495 βxxy –77.22
μz 0.0953 αyy 113.56 βxyy 20.9204
μ0 5.306 αxz 2.3696 βyyy –23.663
    αyz 3.6526 βxxz –2.5495
    αzz 136.389 βxyz –4.3247
    α0 128.291 βyyz 1.3138
      190 127 × 10–24 esu βxzz 1.5831
        βyzz 3.9899
        βzzz –0.948
        β0 163.102
          140 909 × 10–32 esu
a

Standard value for urea (μ = 1.3732 D, β0 = 0.3728 × 10–30 esu).