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 C₅H₇ (1,3-pentadienyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		58
	Energy 298.15K		52
	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		57
	HOMO-LUMO Energies		60
	Barriers to Internal Rotation		0
Geometries	Cartesians		60
	Internal Coordinates		59
	Products of moments of inertia		56
	Rotational Constants		60
	Point Group		61
Vibrations	Vibrational Frequencies		55
	Vibrational Intensities		55
	Zero-point energies		55
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		45
	Dipole		49
	Quadrupole		44
	Polarizability		60
Other results	Spin		59
	Number of basis functions		6
	Conformations		1