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 C₂N₂⁺ (Cyanogen cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		79
	Energy 298.15K		54
	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		68
	HOMO-LUMO Energies		57
	Barriers to Internal Rotation		0
Geometries	Cartesians		80
	Internal Coordinates		68
	Products of moments of inertia		52
	Rotational Constants		55
	Point Group		72
Vibrations	Vibrational Frequencies		65
	Vibrational Intensities		269
	Zero-point energies		65
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		37
	Dipole		49
	Quadrupole		44
	Polarizability		202
Other results	Spin		61
	Number of basis functions		60
	Conformations		1