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 (2(1H)-Pyridinone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		97
	Energy 298.15K		91
	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		89
	HOMO-LUMO Energies		92
	Barriers to Internal Rotation		0
Geometries	Cartesians		91
	Internal Coordinates		90
	Products of moments of inertia		91
	Rotational Constants		93
	Point Group		94
Vibrations	Vibrational Frequencies		90
	Vibrational Intensities		94
	Zero-point energies		90
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		77
	Dipole		82
	Quadrupole		78
	Polarizability		84
Other results	Spin		0
	Number of basis functions		3
	Conformations		1