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 C₂H₅SC₂H₅ (Diethyl sulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		223
	Energy 298.15K		207
	Atomization Enthalpy 298.15K	x	148	x
	Atomization Enthalpy 0K		150
	Entropy (298.15K)		153
	Entropy at any temperature		153
	Integrated Heat Capacity		153
	Heat Capacity (Cp)	x	153	x
	Nuclear Repulsion Energy		209
	HOMO-LUMO Energies		207
	Barriers to Internal Rotation		0
Geometries	Cartesians		195
	Internal Coordinates		194
	Products of moments of inertia	x	206	x
	Rotational Constants	x	211	x
	Point Group		211
Vibrations	Vibrational Frequencies	fun.	208	x
	Vibrational Intensities		227
	Zero-point energies		208
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		171
	Dipole	x	183	x
	Quadrupole		124
	Polarizability	x	163	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1