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 CF₃ (Trifluoromethyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		300
	Energy 298.15K		268
	Atomization Enthalpy 298.15K	x	48	x
	Atomization Enthalpy 0K	x	50	x
	Entropy (298.15K)	x	23	x
	Entropy at any temperature		23
	Integrated Heat Capacity	x	23	x
	Heat Capacity (Cp)	x	23	x
	Nuclear Repulsion Energy		264
	HOMO-LUMO Energies		247
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	237
	Internal Coordinates	x	237	x
	Products of moments of inertia		240
	Rotational Constants	x	249	x
	Point Group		267
Vibrations	Vibrational Frequencies	fun.	247	x
	Vibrational Intensities		411
	Zero-point energies	x	247	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		174
	Dipole	x	190	x
	Quadrupole		209
	Polarizability		210
Other results	Spin		267
	Number of basis functions		90
	Conformations		1