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 N₂ (Nitrogen diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1750
	Energy 298.15K		1021
	Atomization Enthalpy 298.15K	x	47	x
	Atomization Enthalpy 0K	x	49	x
	Entropy (298.15K)	x	17	x
	Entropy at any temperature		17
	Integrated Heat Capacity	x	17	x
	Heat Capacity (Cp)	x	17	x
	Nuclear Repulsion Energy		1657
	HOMO-LUMO Energies		1490
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1606
	Internal Coordinates	x	1606	x
	Products of moments of inertia	x	1618	x
	Rotational Constants	x	1631	x
	Point Group		1659
Vibrations	Vibrational Frequencies	fun. har.	1684	x
	Vibrational Intensities		2548
	Zero-point energies		1684
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		834
Electronic States	Electronic states	x	603
Electrostatics	Atom charges		945
	Dipole	x	1192	x
	Quadrupole	x	1051	x
	Polarizability	x	1103	x
Other results	Spin		604
	Number of basis functions		136
	Conformations		1