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 F₃NO (Nitrogen trifluoride oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		247
	Energy 298.15K		235
	Atomization Enthalpy 298.15K	x	177	x
	Atomization Enthalpy 0K	x	181	x
	Entropy (298.15K)	x	166	x
	Entropy at any temperature		166
	Integrated Heat Capacity	x	166	x
	Heat Capacity (Cp)	x	166	x
	Nuclear Repulsion Energy		219
	HOMO-LUMO Energies		216
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	196
	Internal Coordinates	x	195	x
	Products of moments of inertia		214
	Rotational Constants		219
	Point Group		219
Vibrations	Vibrational Frequencies		216
	Vibrational Intensities		226
	Zero-point energies		216
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		184
	Dipole		187
	Quadrupole		127
	Polarizability		168
Other results	Spin		0
	Number of basis functions		6
	Conformations		1