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

All data (experiment and calculated) in the CCCBDB for NH₂OH (hydroxylamine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		297
	Energy 298.15K		287
	Atomization Enthalpy 298.15K	x	266	x
	Atomization Enthalpy 0K	x	266	x
	Entropy (298.15K)	x	239	x
	Entropy at any temperature		239
	Integrated Heat Capacity	x	239	x
	Heat Capacity (Cp)	x	239	x
	Nuclear Repulsion Energy		253
	HOMO-LUMO Energies		240
	Barriers to Internal Rotation		15
Geometries	Cartesians	x	207
	Internal Coordinates	x	207	x
	Products of moments of inertia		227
	Rotational Constants	x	231	x
	Point Group		230
Vibrations	Vibrational Frequencies	x	229	x
	Vibrational Intensities		226
	Zero-point energies	x	229	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole	x	160	x
	Quadrupole		155
	Polarizability		101
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		6
	Conformations		1