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 CHOCOOH (oxo acetic acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		284
	Energy 298.15K		273
	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		280
	HOMO-LUMO Energies		282
	Barriers to Internal Rotation		0
Geometries	Cartesians		282
	Internal Coordinates		281
	Products of moments of inertia		274
	Rotational Constants		279
	Point Group		284
Vibrations	Vibrational Frequencies		276
	Vibrational Intensities		276
	Zero-point energies		276
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		193
	Dipole		211
	Quadrupole		192
	Polarizability		228
Other results	Spin		0
	Number of basis functions		24
	Conformations		1