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 Si₂H₂ (disilyne)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		2236
	Energy 298.15K		32
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		2261
	HOMO-LUMO Energies		2056
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	2261
	Internal Coordinates	x	2261	x
	Products of moments of inertia	x	2232	x
	Rotational Constants	x	2261	x
	Point Group		2264
Vibrations	Vibrational Frequencies	fun.	2260	x
	Vibrational Intensities		2056
	Zero-point energies		2260
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		1665
Electronic States	Electronic states		0
Electrostatics	Atom charges		1352
	Dipole		1905
	Quadrupole		1579
	Polarizability		1620
Other results	Spin		0
	Number of basis functions		130
	Conformations		4	x