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 C₂H₅ (Ethyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		690
	Energy 298.15K		632
	Atomization Enthalpy 298.15K	x	45	x
	Atomization Enthalpy 0K	x	48	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		637
	HOMO-LUMO Energies		537
	Barriers to Internal Rotation		425
Geometries	Cartesians		575
	Internal Coordinates		521
	Products of moments of inertia		617
	Rotational Constants		626
	Point Group		654
Vibrations	Vibrational Frequencies	fun.	618	x
	Vibrational Intensities		917
	Zero-point energies		618
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		378
	Dipole		448
	Quadrupole		371
	Polarizability		399
Other results	Spin		656
	Number of basis functions		71
	Conformations		1