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 HOCO⁺ (Hydrocarboxyl cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		299
	Energy 298.15K		262
	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		287
	HOMO-LUMO Energies		264
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	287
	Internal Coordinates	x	287	x
	Products of moments of inertia	x	260	x
	Rotational Constants	x	264	x
	Point Group		291
Vibrations	Vibrational Frequencies		278
	Vibrational Intensities		288
	Zero-point energies		278
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		171
	Dipole		175
	Quadrupole		170
	Polarizability		178
Other results	Spin		9
	Number of basis functions		10
	Conformations		2	x