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 LiN (Lithium Nitride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		878
	Energy 298.15K		257
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		865
	HOMO-LUMO Energies		793
	Barriers to Internal Rotation		0
Geometries	Cartesians		867
	Internal Coordinates		867
	Products of moments of inertia		854
	Rotational Constants		866
	Point Group		870
Vibrations	Vibrational Frequencies		897
	Vibrational Intensities		1058
	Zero-point energies		897
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		426
Electronic States	Electronic states	x	257
Electrostatics	Atom charges		781
	Dipole		676
	Quadrupole		579
	Polarizability		579
Other results	Spin		619
	Number of basis functions		70
	Conformations		1