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 CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		511
	Energy 298.15K		34
	Atomization Enthalpy 298.15K	x	18	x
	Atomization Enthalpy 0K		18
	Entropy (298.15K)		18
	Entropy at any temperature		18
	Integrated Heat Capacity		18
	Heat Capacity (Cp)		18
	Nuclear Repulsion Energy		496
	HOMO-LUMO Energies		16
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	489
	Internal Coordinates	x	489	x
	Products of moments of inertia	x	480	x
	Rotational Constants	x	490	x
	Point Group		497
Vibrations	Vibrational Frequencies	fun.	481	x
	Vibrational Intensities		685
	Zero-point energies	x	481	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		367
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		332
	Dipole	x	442	x
	Quadrupole		373
	Polarizability		389
Other results	Spin		0
	Number of basis functions		32
	Conformations		1