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 H₂S₂ (Disulfane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		730
	Energy 298.15K		625
	Atomization Enthalpy 298.15K	x	26	x
	Atomization Enthalpy 0K	x	26	x
	Entropy (298.15K)	x	21	x
	Entropy at any temperature		21
	Integrated Heat Capacity		21
	Heat Capacity (Cp)	x	21	x
	Nuclear Repulsion Energy		693
	HOMO-LUMO Energies		593
	Barriers to Internal Rotation		671
Geometries	Cartesians	x	681
	Internal Coordinates	x	681	x
	Products of moments of inertia	x	672	x
	Rotational Constants	x	682	x
	Point Group		706
Vibrations	Vibrational Frequencies	fun.	675	x
	Vibrational Intensities		835
	Zero-point energies	x	675	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		383
	Dipole	x	484	x
	Quadrupole		395
	Polarizability		454
Other results	Spin		0
	Number of basis functions		73
	Conformations		1