Table 8.

Calculated properties of l‐aspartic acid.

Property	Values	Units
Unit cell dimensions[a]	a = 7.597 (7.617)	Å
	b = 7.028 (6.982)
	c = 5.113 (5.142)
	β = 98.77 (99.84)
Space group	$P{2}_1$	Degrees
Optical permittivity[b]	2.68, 2.20, 2.56
Static permittivity[b]	4.58, 3.65, 3.65
Phonon frequency[c](intensity)	TO 84.5 (0.120) 104.7 (0.202) 106.0 (0.243) 115.3 (0.474) 137.3 (0.617) 1290.0 (55.0) 2945.9 (102.8) 2947.3 (48.2) 3053.7 (44.1)	cm−1 ((D/Å)2/amu)

[a] The experimental values taken from Ref. 43 are given in brackets.

[b] Only the diagonal components are given.

[c] Only selected transitions are tabulated. The intensities are given in brackets.