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 CHOCH₂OH (hydroxy acetaldehyde)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		304
	Energy 298.15K		283
	Atomization Enthalpy 298.15K		187
	Atomization Enthalpy 0K		189
	Entropy (298.15K)		175
	Entropy at any temperature		175
	Integrated Heat Capacity		175
	Heat Capacity (Cp)		175
	Nuclear Repulsion Energy		274
	HOMO-LUMO Energies		278
	Barriers to Internal Rotation		400
Geometries	Cartesians		265
	Internal Coordinates		265
	Products of moments of inertia		270
	Rotational Constants		278
	Point Group		279
Vibrations	Vibrational Frequencies		269
	Vibrational Intensities		292
	Zero-point energies		269
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		186
	Dipole	x	201	x
	Quadrupole	x	187	x
	Polarizability		186
Other results	Spin		0
	Number of basis functions		9
	Conformations		2	x