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

All data (experiment and calculated) in the CCCBDB for FCN (Cyanogen fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		234
	Energy 298.15K		222
	Atomization Enthalpy 298.15K	x	207	x
	Atomization Enthalpy 0K	x	205	x
	Entropy (298.15K)	x	183	x
	Entropy at any temperature		183
	Integrated Heat Capacity	x	183	x
	Heat Capacity (Cp)	x	183	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		203
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	194
	Internal Coordinates	x	194	x
	Products of moments of inertia	x	201	x
	Rotational Constants	x	206	x
	Point Group		207
Vibrations	Vibrational Frequencies	x	208	x
	Vibrational Intensities		198
	Zero-point energies	x	208	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		200
	Dipole		130
	Quadrupole		128
	Polarizability		131
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1