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 NF (nitrogen fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		636
	Energy 298.15K		590
	Atomization Enthalpy 298.15K	x	65	x
	Atomization Enthalpy 0K	x	261	x
	Entropy (298.15K)	x	32	x
	Entropy at any temperature		32
	Integrated Heat Capacity	x	32	x
	Heat Capacity (Cp)	x	32	x
	Nuclear Repulsion Energy		594
	HOMO-LUMO Energies		549
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	541
	Internal Coordinates	x	539	x
	Products of moments of inertia	x	551	x
	Rotational Constants	x	570	x
	Point Group		603
Vibrations	Vibrational Frequencies	fun. har.	567	x
	Vibrational Intensities		703
	Zero-point energies	x	567	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	288
Electrostatics	Atom charges		353
	Dipole	x	368	x
	Quadrupole		357
	Polarizability		378
Other results	Spin		308
	Number of basis functions		94
	Conformations		1