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 C₇H₇⁺ (cycloheptatrienyl cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		472
	Energy 298.15K		427
	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		472
	HOMO-LUMO Energies		433
	Barriers to Internal Rotation		0
Geometries	Cartesians		468
	Internal Coordinates		468
	Products of moments of inertia		459
	Rotational Constants		467
	Point Group		473
Vibrations	Vibrational Frequencies		452
	Vibrational Intensities		441
	Zero-point energies		452
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		29
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		299
	Dipole		395
	Quadrupole		328
	Polarizability		352
Other results	Spin		0
	Number of basis functions		57
	Conformations		1