I.B.3. (II.A.2.)

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		292
	Energy 298.15K		276
	Atomization Enthalpy 298.15K	x	268	x
	Atomization Enthalpy 0K	x	269	x
	Entropy (298.15K)	x	237	x
	Entropy at any temperature		237
	Integrated Heat Capacity	x	236	x
	Heat Capacity (Cp)	x	236	x
	Nuclear Repulsion Energy		249
	HOMO-LUMO Energies		244
	Barriers to Internal Rotation	x	13	x
Geometries	Cartesians		206
	Internal Coordinates	x	206	x
	Products of moments of inertia	x	228	x
	Rotational Constants	x	235	x
	Point Group		252
Vibrations	Vibrational Frequencies	x	227	x
	Vibrational Intensities		215
	Zero-point energies	x	227	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole	x	165	x
	Quadrupole		160
	Polarizability	x	176	x
Other results	Spin		0
	Number of basis functions		26
	Diagnostics		6
	Conformations		1