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 CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		224
	Energy 298.15K		214
	Atomization Enthalpy 298.15K	x	152	x
	Atomization Enthalpy 0K		155
	Entropy (298.15K)		157
	Entropy at any temperature		157
	Integrated Heat Capacity		157
	Heat Capacity (Cp)	x	157	x
	Nuclear Repulsion Energy		208
	HOMO-LUMO Energies		209
	Barriers to Internal Rotation		0
Geometries	Cartesians		194
	Internal Coordinates	x	193	x
	Products of moments of inertia		203
	Rotational Constants		208
	Point Group		209
Vibrations	Vibrational Frequencies		204
	Vibrational Intensities		218
	Zero-point energies		204
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole	x	185	x
	Quadrupole		175
	Polarizability	x	166	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1