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 HBBH (Diborane(2))

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		681
	Energy 298.15K		653
	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		682
	HOMO-LUMO Energies		564
	Barriers to Internal Rotation		0
Geometries	Cartesians		679
	Internal Coordinates		679
	Products of moments of inertia		671
	Rotational Constants		679
	Point Group		683
Vibrations	Vibrational Frequencies	fun.	676	x
	Vibrational Intensities		682
	Zero-point energies		676
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		378
	Dipole		508
	Quadrupole		416
	Polarizability		408
Other results	Spin		682
	Number of basis functions		0
	Conformations		1