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

All data (experiment and calculated) in the CCCBDB for ND₂ (Amidogen-d2)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		312
	Energy 298.15K		236
	Atomization Enthalpy 298.15K	x	234	x
	Atomization Enthalpy 0K	x	242	x
	Entropy (298.15K)	x	193	x
	Entropy at any temperature		193
	Integrated Heat Capacity	x	193	x
	Heat Capacity (Cp)	x	193	x
	Nuclear Repulsion Energy		264
	HOMO-LUMO Energies		266
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	228
	Internal Coordinates		228
	Products of moments of inertia	x	240	x
	Rotational Constants	x	244	x
	Point Group		245
Vibrations	Vibrational Frequencies		245
	Vibrational Intensities		218
	Zero-point energies		245
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole		165
	Quadrupole		171
	Polarizability		151
Other results	Spin		178
	Number of basis functions		28
	Diagnostics		6
	Conformations		1