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 CHClCHCl (Ethene, 1,2-dichloro-, (Z)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		285
	Energy 298.15K		275
	Atomization Enthalpy 298.15K	x	183	x
	Atomization Enthalpy 0K		187
	Entropy (298.15K)	x	174	x
	Entropy at any temperature		174
	Integrated Heat Capacity	x	174	x
	Heat Capacity (Cp)	x	174	x
	Nuclear Repulsion Energy		248
	HOMO-LUMO Energies		246
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	232
	Internal Coordinates	x	231	x
	Products of moments of inertia	x	242	x
	Rotational Constants	x	247	x
	Point Group		247
Vibrations	Vibrational Frequencies	fun.	241	x
	Vibrational Intensities		259
	Zero-point energies	x	241	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		189
	Dipole	x	215	x
	Quadrupole		197
	Polarizability	x	181	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1