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 B₂H₄ (Diborane(4) D2d)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		695
	Energy 298.15K		619
	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		672
	HOMO-LUMO Energies		605
	Barriers to Internal Rotation		150
Geometries	Cartesians		686
	Internal Coordinates		686
	Products of moments of inertia		676
	Rotational Constants		685
	Point Group		694
Vibrations	Vibrational Frequencies		675
	Vibrational Intensities		625
	Zero-point energies		675
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		379
	Dipole		486
	Quadrupole		392
	Polarizability		444
Other results	Spin		0
	Number of basis functions		37
	Conformations		1