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 C₄H₆OS (4,5-dihydrothiophene-2-ol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		70
	Energy 298.15K		67
	Atomization Enthalpy 298.15K		23
	Atomization Enthalpy 0K		23
	Entropy (298.15K)		23
	Entropy at any temperature		23
	Integrated Heat Capacity		23
	Heat Capacity (Cp)		23
	Nuclear Repulsion Energy		65
	HOMO-LUMO Energies		68
	Barriers to Internal Rotation		0
Geometries	Cartesians		68
	Internal Coordinates		67
	Products of moments of inertia		64
	Rotational Constants		68
	Point Group		69
Vibrations	Vibrational Frequencies		66
	Vibrational Intensities		68
	Zero-point energies		66
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		54
	Dipole		56
	Quadrupole		52
	Polarizability		57
Other results	Spin		0
	Number of basis functions		6
	Conformations		1