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 CHCl₂CHO (dichloroacetaldehyde)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		751
	Energy 298.15K		265
	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		749
	HOMO-LUMO Energies		719
	Barriers to Internal Rotation		250
Geometries	Cartesians		752
	Internal Coordinates		752
	Products of moments of inertia		736
	Rotational Constants		750
	Point Group		753
Vibrations	Vibrational Frequencies		738
	Vibrational Intensities		703
	Zero-point energies		738
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		370
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		486
	Dipole		650
	Quadrupole		557
	Polarizability		565
Other results	Spin		0
	Number of basis functions		55
	Conformations		2	x