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 HCCF⁺ (fluoroacetylene cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		295
	Energy 298.15K		272
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		291
	HOMO-LUMO Energies		281
	Barriers to Internal Rotation		0
Geometries	Cartesians		294
	Internal Coordinates		294
	Products of moments of inertia		272
	Rotational Constants		279
	Point Group		295
Vibrations	Vibrational Frequencies		277
	Vibrational Intensities		255
	Zero-point energies		277
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole		181
	Quadrupole		176
	Polarizability		207
Other results	Spin		293
	Number of basis functions		69
	Conformations		1