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 C₅H₅ (cyclopentadienyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		371
	Energy 298.15K		152
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		383
	HOMO-LUMO Energies		364
	Barriers to Internal Rotation		0
Geometries	Cartesians		364
	Internal Coordinates		362
	Products of moments of inertia		317
	Rotational Constants		328
	Point Group		391
Vibrations	Vibrational Frequencies		322
	Vibrational Intensities		308
	Zero-point energies		322
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		230
	Dipole		293
	Quadrupole		261
	Polarizability		220
Other results	Spin		379
	Number of basis functions		2
	Conformations		2	x