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 C₅H₁₂ (Butane, 2-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		230
	Energy 298.15K		223
	Atomization Enthalpy 298.15K	x	160	x
	Atomization Enthalpy 0K	x	165	x
	Entropy (298.15K)	x	153	x
	Entropy at any temperature		153
	Integrated Heat Capacity	x	153	x
	Heat Capacity (Cp)	x	153	x
	Nuclear Repulsion Energy		214
	HOMO-LUMO Energies		110
	Barriers to Internal Rotation		0
Geometries	Cartesians		192
	Internal Coordinates		0
	Products of moments of inertia		207
	Rotational Constants		213
	Point Group		216
Vibrations	Vibrational Frequencies		208
	Vibrational Intensities		217
	Zero-point energies		208
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole	x	187	x
	Quadrupole		179
	Polarizability	x	168	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1