I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for N₃ (azide radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		237
	Energy 298.15K		10
	Atomization Enthalpy 298.15K	x	8	x
	Atomization Enthalpy 0K		188
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		232
	HOMO-LUMO Energies		231
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	231
	Internal Coordinates	x	231	x
	Products of moments of inertia	x	215	x
	Rotational Constants	x	222	x
	Point Group		233
Vibrations	Vibrational Frequencies	x	235	x
	Vibrational Intensities		218
	Zero-point energies	x	235	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states		0
Electrostatics	Atom charges		142
	Dipole		142
	Quadrupole		142
	Polarizability		130
Other results	Spin		219
	Number of basis functions		31
	Diagnostics		0
	Conformations		1