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 C₅H₅N (Pyridine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		243
	Energy 298.15K		233
	Atomization Enthalpy 298.15K	x	166	x
	Atomization Enthalpy 0K		166
	Entropy (298.15K)	x	157	x
	Entropy at any temperature		157
	Integrated Heat Capacity		157
	Heat Capacity (Cp)	x	157	x
	Nuclear Repulsion Energy		221
	HOMO-LUMO Energies		219
	Barriers to Internal Rotation		0
Geometries	Cartesians		196
	Internal Coordinates	x	0	x
	Products of moments of inertia	x	218	x
	Rotational Constants	x	223	x
	Point Group		223
Vibrations	Vibrational Frequencies	fun.	218	x
	Vibrational Intensities		229
	Zero-point energies	x	218	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		184
	Dipole	x	195	x
	Quadrupole	x	187	x
	Polarizability	x	178	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1