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 HSO₃ (Hydroxysulfonyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		282
	Energy 298.15K		238
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		280
	HOMO-LUMO Energies		256
	Barriers to Internal Rotation		0
Geometries	Cartesians		258
	Internal Coordinates		257
	Products of moments of inertia		239
	Rotational Constants		246
	Point Group		284
Vibrations	Vibrational Frequencies	fun.	241	x
	Vibrational Intensities		229
	Zero-point energies		241
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole		182
	Quadrupole		177
	Polarizability		203
Other results	Spin		282
	Number of basis functions		23
	Conformations		1