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

All data (experiment and calculated) in the CCCBDB for NH₂CN (cyanamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		219
	Energy 298.15K		10
	Atomization Enthalpy 298.15K		7
	Atomization Enthalpy 0K		182
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		215
	HOMO-LUMO Energies		209
	Barriers to Internal Rotation		9
Geometries	Cartesians		209
	Internal Coordinates	x	209	x
	Products of moments of inertia	x	202	x
	Rotational Constants	x	209	x
	Point Group		216
Vibrations	Vibrational Frequencies	x	221	x
	Vibrational Intensities		217
	Zero-point energies		221
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		129
	Dipole	x	129	x
	Quadrupole		129
	Polarizability		130
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		5
	Conformations		2	x