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 FNO (Nitrosyl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		686
	Energy 298.15K		86
	Atomization Enthalpy 298.15K	x	67	x
	Atomization Enthalpy 0K	x	68	x
	Entropy (298.15K)	x	37	x
	Entropy at any temperature		37
	Integrated Heat Capacity	x	37	x
	Heat Capacity (Cp)	x	37	x
	Nuclear Repulsion Energy		654
	HOMO-LUMO Energies		572
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	612
	Internal Coordinates	x	612	x
	Products of moments of inertia	x	616	x
	Rotational Constants	x	626	x
	Point Group		652
Vibrations	Vibrational Frequencies	fun.	624	x
	Vibrational Intensities		812
	Zero-point energies	x	624	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		417
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		376
	Dipole	x	527	x
	Quadrupole		426
	Polarizability		439
Other results	Spin		0
	Number of basis functions		35
	Conformations		1