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

All data (experiment and calculated) in the CCCBDB for FNO (Nitrosyl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		284
	Energy 298.15K		268
	Atomization Enthalpy 298.15K	x	260	x
	Atomization Enthalpy 0K	x	263	x
	Entropy (298.15K)	x	226	x
	Entropy at any temperature		226
	Integrated Heat Capacity	x	226	x
	Heat Capacity (Cp)	x	224	x
	Nuclear Repulsion Energy		238
	HOMO-LUMO Energies		222
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	194
	Internal Coordinates	x	194	x
	Products of moments of inertia	x	212	x
	Rotational Constants	x	216	x
	Point Group		219
Vibrations	Vibrational Frequencies	x	221	x
	Vibrational Intensities		204
	Zero-point energies	x	221	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole	x	161	x
	Quadrupole		99
	Polarizability		139
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		5
	Conformations		1