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 HSO₃F (Fluorosulfonic acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		228
	Energy 298.15K		213
	Atomization Enthalpy 298.15K	x	154	x
	Atomization Enthalpy 0K		160
	Entropy (298.15K)	x	160	x
	Entropy at any temperature		160
	Integrated Heat Capacity	x	160	x
	Heat Capacity (Cp)	x	160	x
	Nuclear Repulsion Energy		211
	HOMO-LUMO Energies		200
	Barriers to Internal Rotation		0
Geometries	Cartesians		189
	Internal Coordinates		188
	Products of moments of inertia		203
	Rotational Constants		208
	Point Group		212
Vibrations	Vibrational Frequencies	fun.	205	x
	Vibrational Intensities		217
	Zero-point energies	x	205	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		174
	Dipole		181
	Quadrupole		172
	Polarizability		160
Other results	Spin		0
	Number of basis functions		6
	Conformations		1