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

All data (experiment and calculated) in the CCCBDB for NH (Imidogen)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		560
	Energy 298.15K		305
	Atomization Enthalpy 298.15K	x	297	x
	Atomization Enthalpy 0K	x	499	x
	Entropy (298.15K)	x	254	x
	Entropy at any temperature		254
	Integrated Heat Capacity	x	254	x
	Heat Capacity (Cp)	x	254	x
	Nuclear Repulsion Energy		516
	HOMO-LUMO Energies		507
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	454
	Internal Coordinates	x	454	x
	Products of moments of inertia	x	483	x
	Rotational Constants	x	493	x
	Point Group		495
Vibrations	Vibrational Frequencies	x	494	x
	Vibrational Intensities		444
	Zero-point energies		494
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	246
Electrostatics	Atom charges		321
	Dipole		302
	Quadrupole		306
	Polarizability		283
Other results	Spin		178
	Number of basis functions		33
	Diagnostics		6
	Conformations		1