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 C₄H₄N₂O₂ (Uracil)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		40
	Energy 298.15K		40
	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		38
	HOMO-LUMO Energies		41
	Barriers to Internal Rotation		0
Geometries	Cartesians		41
	Internal Coordinates	x	40	x
	Products of moments of inertia		39
	Rotational Constants		41
	Point Group		42
Vibrations	Vibrational Frequencies		39
	Vibrational Intensities		39
	Zero-point energies		39
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		30
	Dipole		34
	Quadrupole		30
	Polarizability	x	35	x
Other results	Spin		0
	Number of basis functions		3
	Conformations		1