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 H₂SO₄ (Sulfuric acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		280
	Energy 298.15K		264
	Atomization Enthalpy 298.15K	x	158	x
	Atomization Enthalpy 0K	x	161	x
	Entropy (298.15K)	x	162	x
	Entropy at any temperature		162
	Integrated Heat Capacity	x	162	x
	Heat Capacity (Cp)	x	162	x
	Nuclear Repulsion Energy		259
	HOMO-LUMO Energies		136
	Barriers to Internal Rotation		763
Geometries	Cartesians	x	244
	Internal Coordinates	x	244	x
	Products of moments of inertia	x	251	x
	Rotational Constants	x	256	x
	Point Group		260
Vibrations	Vibrational Frequencies	fun.	256	x
	Vibrational Intensities		261
	Zero-point energies	x	256	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		189
	Dipole	x	207	x
	Quadrupole		192
	Polarizability		185
Other results	Spin		0
	Number of basis functions		9
	Conformations		1