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, 2,3-dimethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		255
	Energy 298.15K		242
	Atomization Enthalpy 298.15K	x	171	x
	Atomization Enthalpy 0K	x	176	x
	Entropy (298.15K)	x	174	x
	Entropy at any temperature		174
	Integrated Heat Capacity	x	174	x
	Heat Capacity (Cp)	x	174	x
	Nuclear Repulsion Energy		244
	HOMO-LUMO Energies		244
	Barriers to Internal Rotation		0
Geometries	Cartesians		221
	Internal Coordinates		220
	Products of moments of inertia		236
	Rotational Constants		242
	Point Group		246
Vibrations	Vibrational Frequencies	fun.	236	x
	Vibrational Intensities		246
	Zero-point energies		236
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		182
	Dipole		188
	Quadrupole		181
	Polarizability		169
Other results	Spin		0
	Number of basis functions		6
	Conformations		1