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 IO (Iodine monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		140
	Energy 298.15K		3
	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		143
	HOMO-LUMO Energies		125
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	143
	Internal Coordinates	x	143	x
	Products of moments of inertia	x	140	x
	Rotational Constants	x	143	x
	Point Group		144
Vibrations	Vibrational Frequencies	fun.	143	x
	Vibrational Intensities		125
	Zero-point energies	x	143	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		99
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		85
	Dipole		109
	Quadrupole		92
	Polarizability		90
Other results	Spin		143
	Number of basis functions		11
	Conformations		1