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 B₂O₃ (diboron trioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		1128
	Energy 298.15K		14
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		1132
	HOMO-LUMO Energies		1027
	Barriers to Internal Rotation		0
Geometries	Cartesians		1132
	Internal Coordinates		1132
	Products of moments of inertia		1120
	Rotational Constants		1132
	Point Group		1134
Vibrations	Vibrational Frequencies		1111
	Vibrational Intensities		1015
	Zero-point energies		1111
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		833
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		714
	Dipole		973
	Quadrupole		821
	Polarizability		844
Other results	Spin		0
	Number of basis functions		66
	Conformations		2	x