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 C₅H₁₁ (2-Methylbut-2-yl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		162
	Energy 298.15K		144
	Atomization Enthalpy 298.15K	x	97	x
	Atomization Enthalpy 0K		105
	Entropy (298.15K)		93
	Entropy at any temperature		93
	Integrated Heat Capacity		93
	Heat Capacity (Cp)	x	93	x
	Nuclear Repulsion Energy		155
	HOMO-LUMO Energies		143
	Barriers to Internal Rotation		0
Geometries	Cartesians		140
	Internal Coordinates		139
	Products of moments of inertia		145
	Rotational Constants		149
	Point Group		149
Vibrations	Vibrational Frequencies		145
	Vibrational Intensities		217
	Zero-point energies		145
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		123
	Dipole		120
	Quadrupole		125
	Polarizability		164
Other results	Spin		114
	Number of basis functions		10
	Conformations		1