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 CH₃CHCl₂ (Ethane, 1,1-dichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		276
	Energy 298.15K		266
	Atomization Enthalpy 298.15K	x	180	x
	Atomization Enthalpy 0K	x	180	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		240
	HOMO-LUMO Energies		240
	Barriers to Internal Rotation		224
Geometries	Cartesians	x	225
	Internal Coordinates	x	224	x
	Products of moments of inertia	x	233	x
	Rotational Constants	x	238	x
	Point Group		238
Vibrations	Vibrational Frequencies	fun.	232	x
	Vibrational Intensities		250
	Zero-point energies	x	232	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		186
	Dipole	x	212	x
	Quadrupole		194
	Polarizability	x	178	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1