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 ClOOCl (Dichlorine dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		455
	Energy 298.15K		438
	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		439
	HOMO-LUMO Energies		421
	Barriers to Internal Rotation		650
Geometries	Cartesians	x	455
	Internal Coordinates	x	455	x
	Products of moments of inertia	x	448	x
	Rotational Constants	x	455	x
	Point Group		456
Vibrations	Vibrational Frequencies	fun.	455	x
	Vibrational Intensities		431
	Zero-point energies		455
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		278
	Dipole		379
	Quadrupole		311
	Polarizability		330
Other results	Spin		0
	Number of basis functions		30
	Conformations		1