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 C₃H₅ (Allyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		1031
	Energy 298.15K		974
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		1063
	HOMO-LUMO Energies		830
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1022
	Internal Coordinates	x	1020	x
	Products of moments of inertia	x	1011	x
	Rotational Constants	x	1022	x
	Point Group		1071
Vibrations	Vibrational Frequencies	fun.	987	x
	Vibrational Intensities		991
	Zero-point energies		987
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		565
	Dipole		651
	Quadrupole		571
	Polarizability		553
Other results	Spin		1067
	Number of basis functions		57
	Conformations		2	x