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 BF₃ (Borane, trifluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		882
	Energy 298.15K		861
	Atomization Enthalpy 298.15K	x	224	x
	Atomization Enthalpy 0K	x	227	x
	Entropy (298.15K)	x	191	x
	Entropy at any temperature		191
	Integrated Heat Capacity	x	191	x
	Heat Capacity (Cp)	x	191	x
	Nuclear Repulsion Energy		833
	HOMO-LUMO Energies		810
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	796
	Internal Coordinates	x	796	x
	Products of moments of inertia		812
	Rotational Constants		817
	Point Group		829
Vibrations	Vibrational Frequencies	fun.	811	x
	Vibrational Intensities		680
	Zero-point energies	x	811	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		414
	Dipole	x	494	x
	Quadrupole	x	444	x
	Polarizability	x	407	x
Other results	Spin		4
	Number of basis functions		103
	Conformations		2	x