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 C₂Cl₂ (dichloroacetylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		265
	Energy 298.15K		251
	Atomization Enthalpy 298.15K	x	193	x
	Atomization Enthalpy 0K		198
	Entropy (298.15K)	x	182	x
	Entropy at any temperature		182
	Integrated Heat Capacity		182
	Heat Capacity (Cp)		182
	Nuclear Repulsion Energy		230
	HOMO-LUMO Energies		224
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	225
	Internal Coordinates	x	224	x
	Products of moments of inertia		230
	Rotational Constants		233
	Point Group		236
Vibrations	Vibrational Frequencies	fun.	232	x
	Vibrational Intensities		235
	Zero-point energies	x	232	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		187
	Dipole		194
	Quadrupole		188
	Polarizability		121
Other results	Spin		9
	Number of basis functions		37
	Conformations		1