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 MgN (Magnesium Nitride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		1262
	Energy 298.15K		648
	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		1239
	HOMO-LUMO Energies		1073
	Barriers to Internal Rotation		0
Geometries	Cartesians		1195
	Internal Coordinates		1195
	Products of moments of inertia		1248
	Rotational Constants		1264
	Point Group		1266
Vibrations	Vibrational Frequencies		683
	Vibrational Intensities		1076
	Zero-point energies		683
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		663
Electronic States	Electronic states	x	603
Electrostatics	Atom charges		722
	Dipole		966
	Quadrupole		793
	Polarizability		780
Other results	Spin		1264
	Number of basis functions		68
	Conformations		1