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 C₅H₆N⁺ (Pyridinium)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		433
	Energy 298.15K		10
	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		431
	HOMO-LUMO Energies		392
	Barriers to Internal Rotation		0
Geometries	Cartesians		424
	Internal Coordinates		424
	Products of moments of inertia		415
	Rotational Constants		423
	Point Group		435
Vibrations	Vibrational Frequencies	fun.	411	x
	Vibrational Intensities		388
	Zero-point energies		411
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		259
	Dipole		365
	Quadrupole		298
	Polarizability		313
Other results	Spin		0
	Number of basis functions		29
	Conformations		1