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 CH₃SOCH₃ (Dimethyl sulfoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		450
	Energy 298.15K		421
	Atomization Enthalpy 298.15K	x	31	x
	Atomization Enthalpy 0K		31
	Entropy (298.15K)		22
	Entropy at any temperature		22
	Integrated Heat Capacity		22
	Heat Capacity (Cp)		22
	Nuclear Repulsion Energy		425
	HOMO-LUMO Energies		423
	Barriers to Internal Rotation		225
Geometries	Cartesians	x	415
	Internal Coordinates	x	415	x
	Products of moments of inertia	x	413	x
	Rotational Constants	x	416	x
	Point Group		418
Vibrations	Vibrational Frequencies	fun.	408	x
	Vibrational Intensities		421
	Zero-point energies		408
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		407
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		340
	Dipole	x	416	x
	Quadrupole		359
	Polarizability	x	394	x
Other results	Spin		0
	Number of basis functions		28
	Conformations		1