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 HCO⁺ (Formyl cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		652
	Energy 298.15K		35
	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		648
	HOMO-LUMO Energies		566
	Barriers to Internal Rotation		0
Geometries	Cartesians		647
	Internal Coordinates		647
	Products of moments of inertia		630
	Rotational Constants		639
	Point Group		649
Vibrations	Vibrational Frequencies		655
	Vibrational Intensities		822
	Zero-point energies		655
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		419
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		405
	Dipole	x	531	x
	Quadrupole		439
	Polarizability		431
Other results	Spin		1
	Number of basis functions		105
	Conformations		1