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 CH₂ClCHO (chloroacetaldehyde)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		517
	Energy 298.15K		495
	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		510
	HOMO-LUMO Energies		504
	Barriers to Internal Rotation	x	1148	x
Geometries	Cartesians		516
	Internal Coordinates	x	516	x
	Products of moments of inertia	x	502	x
	Rotational Constants	x	514	x
	Point Group		518
Vibrations	Vibrational Frequencies	fun.	508	x
	Vibrational Intensities		500
	Zero-point energies		508
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		344
	Dipole		424
	Quadrupole		374
	Polarizability		397
Other results	Spin		0
	Number of basis functions		26
	Conformations		2	x