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 CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		652
	Energy 298.15K		625
	Atomization Enthalpy 298.15K	x	176	x
	Atomization Enthalpy 0K	x	176	x
	Entropy (298.15K)	x	170	x
	Entropy at any temperature		170
	Integrated Heat Capacity	x	170	x
	Heat Capacity (Cp)	x	170	x
	Nuclear Repulsion Energy		619
	HOMO-LUMO Energies		584
	Barriers to Internal Rotation	x	973	x
Geometries	Cartesians	x	601
	Internal Coordinates	x	601	x
	Products of moments of inertia	x	604	x
	Rotational Constants	x	617	x
	Point Group		619
Vibrations	Vibrational Frequencies	fun.	607	x
	Vibrational Intensities		600
	Zero-point energies		607
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		427
	Dipole		495
	Quadrupole		445
	Polarizability	x	450	x
Other results	Spin		0
	Number of basis functions		9
	Conformations		2	x