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 C₂H₆⁺ (ethane cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		731
	Energy 298.15K		468
	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		1012
	HOMO-LUMO Energies		982
	Barriers to Internal Rotation		0
Geometries	Cartesians		1006
	Internal Coordinates		1006
	Products of moments of inertia		968
	Rotational Constants		980
	Point Group		1023
Vibrations	Vibrational Frequencies		972
	Vibrational Intensities		964
	Zero-point energies		972
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		644
	Dipole		620
	Quadrupole		770
	Polarizability		494
Other results	Spin		1021
	Number of basis functions		55
	Conformations		3	x