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 CH₃F⁺ (methyl fluoride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		665
	Energy 298.15K		10
	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		666
	HOMO-LUMO Energies		565
	Barriers to Internal Rotation		0
Geometries	Cartesians		665
	Internal Coordinates		665
	Products of moments of inertia		647
	Rotational Constants		655
	Point Group		667
Vibrations	Vibrational Frequencies		645
	Vibrational Intensities		560
	Zero-point energies		645
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		419
Electronic States	Electronic states		0
Electrostatics	Atom charges		384
	Dipole		508
	Quadrupole		417
	Polarizability		408
Other results	Spin		666
	Number of basis functions		71
	Conformations		1