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 C₅H₅NO (4-Pyridinol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		95
	Energy 298.15K		89
	Atomization Enthalpy 298.15K		36
	Atomization Enthalpy 0K		36
	Entropy (298.15K)		34
	Entropy at any temperature		34
	Integrated Heat Capacity		34
	Heat Capacity (Cp)		34
	Nuclear Repulsion Energy		88
	HOMO-LUMO Energies		92
	Barriers to Internal Rotation		0
Geometries	Cartesians		90
	Internal Coordinates		89
	Products of moments of inertia		89
	Rotational Constants		92
	Point Group		93
Vibrations	Vibrational Frequencies		89
	Vibrational Intensities		95
	Zero-point energies		89
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		77
	Dipole		81
	Quadrupole		77
	Polarizability		83
Other results	Spin		0
	Number of basis functions		4
	Conformations		1