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 C₆H₆⁺ (Benzene cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		24
	Energy 298.15K		5
	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		18
	HOMO-LUMO Energies		5
	Barriers to Internal Rotation		0
Geometries	Cartesians		17
	Internal Coordinates		17
	Products of moments of inertia		6
	Rotational Constants		6
	Point Group		19
Vibrations	Vibrational Frequencies		5
	Vibrational Intensities		5
	Zero-point energies		5
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		15
	Dipole		6
	Quadrupole		5
	Polarizability		6
Other results	Spin		18
	Number of basis functions		36
	Conformations		2	x