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 CH₃SSCH₃ (Disulfide, dimethyl)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		281
	Energy 298.15K		270
	Atomization Enthalpy 298.15K	x	196	x
	Atomization Enthalpy 0K		200
	Entropy (298.15K)	x	197	x
	Entropy at any temperature		197
	Integrated Heat Capacity	x	197	x
	Heat Capacity (Cp)	x	197	x
	Nuclear Repulsion Energy		247
	HOMO-LUMO Energies		247
	Barriers to Internal Rotation		325
Geometries	Cartesians		233
	Internal Coordinates	x	232	x
	Products of moments of inertia	x	239	x
	Rotational Constants	x	244	x
	Point Group		246
Vibrations	Vibrational Frequencies	fun.	240	x
	Vibrational Intensities		249
	Zero-point energies	x	240	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		182
	Dipole		187
	Quadrupole		178
	Polarizability		169
Other results	Spin		0
	Number of basis functions		6
	Conformations		1