Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for N₃^- (azide anion)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		224
	Energy 298.15K		212
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		210
	HOMO-LUMO Energies		213
	Barriers to Internal Rotation		0
Geometries	Cartesians		213
	Internal Coordinates		212
	Products of moments of inertia		210
	Rotational Constants		212
	Point Group		214
Vibrations	Vibrational Frequencies	fun.	221	x
	Vibrational Intensities		216
	Zero-point energies		221
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		117
	Dipole		132
	Quadrupole		127
	Polarizability		133
Other results	Spin		2
	Number of basis functions		100
	Conformations		1