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

All data (experiment and calculated) in the CCCBDB for CH₂NCH₃ (N-methylmethanimine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		203
	Energy 298.15K		10
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		198
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians		197
	Internal Coordinates	x	197	x
	Products of moments of inertia	x	190	x
	Rotational Constants	x	197	x
	Point Group		199
Vibrations	Vibrational Frequencies		208
	Vibrational Intensities		202
	Zero-point energies		208
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states		0
Electrostatics	Atom charges		123
	Dipole	x	123	x
	Quadrupole		122
	Polarizability		123
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		0
	Conformations		1