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 CaO (Calcium monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		518
	Energy 298.15K		492
	Atomization Enthalpy 298.15K	x	7	x
	Atomization Enthalpy 0K	x	7	x
	Entropy (298.15K)	x	4	x
	Entropy at any temperature		4
	Integrated Heat Capacity	x	4	x
	Heat Capacity (Cp)	x	4	x
	Nuclear Repulsion Energy		515
	HOMO-LUMO Energies		450
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	505
	Internal Coordinates	x	505	x
	Products of moments of inertia	x	498	x
	Rotational Constants	x	505	x
	Point Group		517
Vibrations	Vibrational Frequencies	fun. har.	505	x
	Vibrational Intensities		602
	Zero-point energies	x	505	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		223
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		292
	Dipole		366
	Quadrupole		303
	Polarizability	x	339	x
Other results	Spin		0
	Number of basis functions		29
	Conformations		1