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 CH₂ClCH₂OH (2-Chloroethanol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		449
	Energy 298.15K		417
	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		450
	HOMO-LUMO Energies		407
	Barriers to Internal Rotation		125
Geometries	Cartesians		438
	Internal Coordinates		438
	Products of moments of inertia		430
	Rotational Constants		438
	Point Group		452
Vibrations	Vibrational Frequencies		434
	Vibrational Intensities		407
	Zero-point energies		434
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		267
	Dipole	x	370	x
	Quadrupole		301
	Polarizability	x	319	x
Other results	Spin		0
	Number of basis functions		29
	Conformations		2	x