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 SiN (Silicon nitride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		290
	Energy 298.15K		232
	Atomization Enthalpy 298.15K	x	171	x
	Atomization Enthalpy 0K	x	182	x
	Entropy (298.15K)	x	164	x
	Entropy at any temperature		164
	Integrated Heat Capacity	x	164	x
	Heat Capacity (Cp)	x	164	x
	Nuclear Repulsion Energy		248
	HOMO-LUMO Energies		229
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	223
	Internal Coordinates	x	223	x
	Products of moments of inertia	x	223	x
	Rotational Constants	x	228	x
	Point Group		237
Vibrations	Vibrational Frequencies	fun. har.	229	x
	Vibrational Intensities		269
	Zero-point energies	x	229	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole		165
	Quadrupole		161
	Polarizability		167
Other results	Spin		199
	Number of basis functions		20
	Conformations		1