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 BO₂ (Boron dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		300
	Energy 298.15K		264
	Atomization Enthalpy 298.15K	x	51	x
	Atomization Enthalpy 0K	x	56	x
	Entropy (298.15K)	x	17	x
	Entropy at any temperature		17
	Integrated Heat Capacity	x	17	x
	Heat Capacity (Cp)	x	17	x
	Nuclear Repulsion Energy		262
	HOMO-LUMO Energies		239
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	228
	Internal Coordinates	x	227	x
	Products of moments of inertia	x	232	x
	Rotational Constants	x	240	x
	Point Group		269
Vibrations	Vibrational Frequencies	fun.	239	x
	Vibrational Intensities		397
	Zero-point energies	x	239	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole	x	185	x
	Quadrupole		178
	Polarizability		201
Other results	Spin		265
	Number of basis functions		70
	Conformations		1