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 CH₃Cl⁺ (Methyl chloride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		574
	Energy 298.15K		2
	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		574
	HOMO-LUMO Energies		515
	Barriers to Internal Rotation		0
Geometries	Cartesians		573
	Internal Coordinates		573
	Products of moments of inertia		560
	Rotational Constants		562
	Point Group		575
Vibrations	Vibrational Frequencies		546
	Vibrational Intensities		510
	Zero-point energies		546
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		39
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		391
	Dipole		466
	Quadrupole		407
	Polarizability		412
Other results	Spin		574
	Number of basis functions		66
	Conformations		3	x