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 F₂ (Fluorine diatomic)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1166
	Energy 298.15K		924
	Atomization Enthalpy 298.15K	x	47	x
	Atomization Enthalpy 0K	x	49	x
	Entropy (298.15K)	x	17	x
	Entropy at any temperature		17
	Integrated Heat Capacity	x	17	x
	Heat Capacity (Cp)	x	17	x
	Nuclear Repulsion Energy		1134
	HOMO-LUMO Energies		1011
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1090
	Internal Coordinates	x	1090	x
	Products of moments of inertia	x	1095	x
	Rotational Constants	x	1105	x
	Point Group		1132
Vibrations	Vibrational Frequencies	fun. har.	1104	x
	Vibrational Intensities		1185
	Zero-point energies	x	1104	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		117
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		550
	Dipole	x	629	x
	Quadrupole		526
	Polarizability	x	631	x
Other results	Spin		6
	Number of basis functions		107
	Conformations		1