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 CuO (Copper Monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		131
	Energy 298.15K		116
	Atomization Enthalpy 298.15K	x	63	x
	Atomization Enthalpy 0K	x	65	x
	Entropy (298.15K)	x	56	x
	Entropy at any temperature		56
	Integrated Heat Capacity	x	56	x
	Heat Capacity (Cp)	x	56	x
	Nuclear Repulsion Energy		117
	HOMO-LUMO Energies		120
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	128
	Internal Coordinates	x	119	x
	Products of moments of inertia	x	117	x
	Rotational Constants	x	118	x
	Point Group		121
Vibrations	Vibrational Frequencies	har.	118	x
	Vibrational Intensities		186
	Zero-point energies	x	118	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		87
	Dipole	x	94	x
	Quadrupole		87
	Polarizability		132
Other results	Spin		116
	Number of basis functions		16
	Conformations		1