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 CH₂CH(CH₃)₂ (Isobutyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		236
	Energy 298.15K		219
	Atomization Enthalpy 298.15K	x	166	x
	Atomization Enthalpy 0K		174
	Entropy (298.15K)	x	143	x
	Entropy at any temperature		143
	Integrated Heat Capacity	x	143	x
	Heat Capacity (Cp)	x	143	x
	Nuclear Repulsion Energy		201
	HOMO-LUMO Energies		194
	Barriers to Internal Rotation		0
Geometries	Cartesians		181
	Internal Coordinates		180
	Products of moments of inertia		189
	Rotational Constants		194
	Point Group		197
Vibrations	Vibrational Frequencies		188
	Vibrational Intensities		233
	Zero-point energies		188
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		162
	Dipole		155
	Quadrupole		157
	Polarizability		166
Other results	Spin		158
	Number of basis functions		10
	Conformations		1