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

All data (experiment and calculated) in the CCCBDB for FNO₃ (Fluorine nitrate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		207
	Energy 298.15K		194
	Atomization Enthalpy 298.15K	x	190	x
	Atomization Enthalpy 0K	x	193	x
	Entropy (298.15K)	x	178	x
	Entropy at any temperature		178
	Integrated Heat Capacity	x	178	x
	Heat Capacity (Cp)	x	178	x
	Nuclear Repulsion Energy		184
	HOMO-LUMO Energies		174
	Barriers to Internal Rotation		14
Geometries	Cartesians	x	156
	Internal Coordinates	x	156	x
	Products of moments of inertia		175
	Rotational Constants		179
	Point Group		179
Vibrations	Vibrational Frequencies	x	181	x
	Vibrational Intensities		178
	Zero-point energies	x	181	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		2
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		151
	Dipole		151
	Quadrupole		92
	Polarizability		130
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		4
	Conformations		1