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 NO (Nitric oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1239
	Energy 298.15K		1153
	Atomization Enthalpy 298.15K	x	47	x
	Atomization Enthalpy 0K	x	50	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		1203
	HOMO-LUMO Energies		929
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1132
	Internal Coordinates	x	1125	x
	Products of moments of inertia	x	1150	x
	Rotational Constants	x	1160	x
	Point Group		1203
Vibrations	Vibrational Frequencies	fun. har.	1175	x
	Vibrational Intensities		1672
	Zero-point energies	x	1175	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		615
	Dipole	x	795	x
	Quadrupole		681
	Polarizability	x	599	x
Other results	Spin		1205
	Number of basis functions		82
	Conformations		1