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 PN (Phosphorus mononitride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		728
	Energy 298.15K		59
	Atomization Enthalpy 298.15K	x	36	x
	Atomization Enthalpy 0K	x	43	x
	Entropy (298.15K)	x	31	x
	Entropy at any temperature		31
	Integrated Heat Capacity	x	31	x
	Heat Capacity (Cp)	x	31	x
	Nuclear Repulsion Energy		705
	HOMO-LUMO Energies		614
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	678
	Internal Coordinates	x	678	x
	Products of moments of inertia	x	670	x
	Rotational Constants	x	680	x
	Point Group		707
Vibrations	Vibrational Frequencies	fun. har.	678	x
	Vibrational Intensities		842
	Zero-point energies	x	678	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		461
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		399
	Dipole	x	564	x
	Quadrupole		462
	Polarizability		474
Other results	Spin		2
	Number of basis functions		46
	Conformations		1