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 CH₃NH₂ (methyl amine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		709
	Energy 298.15K		184
	Atomization Enthalpy 298.15K	x	48	x
	Atomization Enthalpy 0K	x	48	x
	Entropy (298.15K)	x	18	x
	Entropy at any temperature		18
	Integrated Heat Capacity	x	18	x
	Heat Capacity (Cp)	x	18	x
	Nuclear Repulsion Energy		677
	HOMO-LUMO Energies		572
	Barriers to Internal Rotation	x	325	x
Geometries	Cartesians		633
	Internal Coordinates	x	633	x
	Products of moments of inertia	x	638	x
	Rotational Constants	x	648	x
	Point Group		678
Vibrations	Vibrational Frequencies	fun.	635	x
	Vibrational Intensities		1125
	Zero-point energies		635
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		416
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		384
	Dipole	x	513	x
	Quadrupole		437
	Polarizability	x	451	x
Other results	Spin		0
	Number of basis functions		67
	Conformations		1