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 HOCO (Hydrocarboxyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		1309
	Energy 298.15K		1282
	Atomization Enthalpy 298.15K		35
	Atomization Enthalpy 0K		37
	Entropy (298.15K)		8
	Entropy at any temperature		8
	Integrated Heat Capacity		8
	Heat Capacity (Cp)		8
	Nuclear Repulsion Energy		1294
	HOMO-LUMO Energies		1146
	Barriers to Internal Rotation		350
Geometries	Cartesians		1119
	Internal Coordinates		1119
	Products of moments of inertia		1316
	Rotational Constants		1332
	Point Group		1336
Vibrations	Vibrational Frequencies	fun.	1327	x
	Vibrational Intensities		1487
	Zero-point energies		1327
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		780
	Dipole		956
	Quadrupole		844
	Polarizability		843
Other results	Spin		1334
	Number of basis functions		10
	Conformations		2	x