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 C₆H₁₄ (Butane, 2,2-dimethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		221
	Energy 298.15K		211
	Atomization Enthalpy 298.15K	x	155	x
	Atomization Enthalpy 0K	x	155	x
	Entropy (298.15K)	x	146	x
	Entropy at any temperature		146
	Integrated Heat Capacity	x	146	x
	Heat Capacity (Cp)	x	146	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		195
	Barriers to Internal Rotation		0
Geometries	Cartesians		177
	Internal Coordinates		176
	Products of moments of inertia		202
	Rotational Constants		207
	Point Group		210
Vibrations	Vibrational Frequencies		201
	Vibrational Intensities		214
	Zero-point energies		201
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole		181
	Quadrupole		175
	Polarizability		162
Other results	Spin		0
	Number of basis functions		5
	Conformations		1