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 CO⁺ (carbon monoxide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		859
	Energy 298.15K		766
	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		855
	HOMO-LUMO Energies		694
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	794
	Internal Coordinates	x	794	x
	Products of moments of inertia	x	820	x
	Rotational Constants	x	829	x
	Point Group		856
Vibrations	Vibrational Frequencies	fun. har.	827	x
	Vibrational Intensities		1215
	Zero-point energies	x	827	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	13
Electrostatics	Atom charges		486
	Dipole		608
	Quadrupole		507
	Polarizability		465
Other results	Spin		855
	Number of basis functions		137
	Conformations		1