Parameter
a.u.
Parameter
a.u.
α
xx
104.40
β
xxx
-62.31
α
xy
3.88
β
xxy
-6.533
α
yy
105.65
β
xyy
22.382
α
xz
1.304
β
yyy
-4.513
α
yz
0.627
β
xxz
-5.928
α
zz
13.88
β
xyz
4.527
α
tot
149.96
β
yyz
5.120
Δα
288.01
β
xzz
-0.109
μx
-0.903
β
yzz
-3.914
µy
1.540
β
zzz
0.0087
µz
0.0491
β
tot
129.66
µ
1.786
Table 8:
The dipole moments μ (D), the Polarizability α(a.u.), the average Polarizability α
o
(esu), the anisotropy of the Polarizability Δα (esu), and the first hyperpolarizability β (esu) of 2,4,6-Nitrophenol.
