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 CH₃NH₃⁺ (protonated methylamine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		268
	Energy 298.15K		251
	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		256
	HOMO-LUMO Energies		258
	Barriers to Internal Rotation		350
Geometries	Cartesians		259
	Internal Coordinates		259
	Products of moments of inertia		249
	Rotational Constants		253
	Point Group		260
Vibrations	Vibrational Frequencies		264
	Vibrational Intensities		262
	Zero-point energies		264
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		151
	Dipole		168
	Quadrupole		162
	Polarizability		169
Other results	Spin		4
	Number of basis functions		43
	Conformations		1