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

All data (experiment and calculated) in the CCCBDB for CF (Fluoromethylidyne)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		315
	Energy 298.15K		294
	Atomization Enthalpy 298.15K	x	285	x
	Atomization Enthalpy 0K	x	292	x
	Entropy (298.15K)	x	254	x
	Entropy at any temperature		254
	Integrated Heat Capacity	x	254	x
	Heat Capacity (Cp)	x	254	x
	Nuclear Repulsion Energy		267
	HOMO-LUMO Energies		238
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	221
	Internal Coordinates	x	221	x
	Products of moments of inertia	x	239	x
	Rotational Constants	x	243	x
	Point Group		246
Vibrations	Vibrational Frequencies	x	244	x
	Vibrational Intensities		216
	Zero-point energies	x	244	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		184
	Dipole	x	162	x
	Quadrupole		167
	Polarizability		148
Other results	Spin		187
	Number of basis functions		34
	Diagnostics		6
	Conformations		1