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

All data (experiment and calculated) in the CCCBDB for NO (Nitric oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		330
	Energy 298.15K		295
	Atomization Enthalpy 298.15K	x	280	x
	Atomization Enthalpy 0K	x	287	x
	Entropy (298.15K)	x	255	x
	Entropy at any temperature		255
	Integrated Heat Capacity	x	255	x
	Heat Capacity (Cp)	x	254	x
	Nuclear Repulsion Energy		283
	HOMO-LUMO Energies		247
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	233
	Internal Coordinates	x	233	x
	Products of moments of inertia	x	255	x
	Rotational Constants	x	259	x
	Point Group		263
Vibrations	Vibrational Frequencies	x	258	x
	Vibrational Intensities		211
	Zero-point energies	x	258	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		183
	Dipole	x	170	x
	Quadrupole		166
	Polarizability	x	140	x
Other results	Spin		199
	Number of basis functions		33
	Diagnostics		6
	Conformations		1