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 cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		467
	Energy 298.15K		447
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		460
	HOMO-LUMO Energies		404
	Barriers to Internal Rotation		0
Geometries	Cartesians		462
	Internal Coordinates		462
	Products of moments of inertia		447
	Rotational Constants		456
	Point Group		464
Vibrations	Vibrational Frequencies	fun.	466	x
	Vibrational Intensities		534
	Zero-point energies		466
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		299
	Dipole		301
	Quadrupole		271
	Polarizability		318
Other results	Spin		1
	Number of basis functions		90
	Conformations		1