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 BF (Boron monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1112
	Energy 298.15K		515
	Atomization Enthalpy 298.15K	x	60	x
	Atomization Enthalpy 0K	x	62	x
	Entropy (298.15K)	x	36	x
	Entropy at any temperature		36
	Integrated Heat Capacity	x	36	x
	Heat Capacity (Cp)	x	36	x
	Nuclear Repulsion Energy		1075
	HOMO-LUMO Energies		871
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	922
	Internal Coordinates	x	922	x
	Products of moments of inertia	x	1047	x
	Rotational Constants	x	1057	x
	Point Group		1074
Vibrations	Vibrational Frequencies	fun. har.	1058	x
	Vibrational Intensities		1234
	Zero-point energies	x	1058	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		338
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		533
	Dipole	x	716	x
	Quadrupole		595
	Polarizability		623
Other results	Spin		1
	Number of basis functions		100
	Conformations		1