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 C₂H₆O₂S (Dimethyl sulfone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		598
	Energy 298.15K		40
	Atomization Enthalpy 298.15K	x	16	x
	Atomization Enthalpy 0K		16
	Entropy (298.15K)		16
	Entropy at any temperature		16
	Integrated Heat Capacity		16
	Heat Capacity (Cp)		16
	Nuclear Repulsion Energy		584
	HOMO-LUMO Energies		521
	Barriers to Internal Rotation		0
Geometries	Cartesians		576
	Internal Coordinates	x	576	x
	Products of moments of inertia	x	568	x
	Rotational Constants	x	578	x
	Point Group		585
Vibrations	Vibrational Frequencies	fun.	553	x
	Vibrational Intensities		685
	Zero-point energies		553
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		14
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		342
	Dipole	x	440	x
	Quadrupole		357
	Polarizability	x	399	x
Other results	Spin		0
	Number of basis functions		30
	Conformations		1