I.B.3. (II.A.2.)

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		185
	Energy 298.15K		169
	Atomization Enthalpy 298.15K	x	164	x
	Atomization Enthalpy 0K		171
	Entropy (298.15K)	x	169	x
	Entropy at any temperature		169
	Integrated Heat Capacity	x	169	x
	Heat Capacity (Cp)	x	169	x
	Nuclear Repulsion Energy		173
	HOMO-LUMO Energies		156
	Barriers to Internal Rotation		0
Geometries	Cartesians		154
	Internal Coordinates		154
	Products of moments of inertia		163
	Rotational Constants		167
	Point Group		169
Vibrations	Vibrational Frequencies	x	167	x
	Vibrational Intensities		166
	Zero-point energies	x	167	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		142
	Dipole		144
	Quadrupole		139
	Polarizability		122
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		4
	Conformations		1