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

All data (experiment and calculated) in the CCCBDB for HCF (Fluoromethylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		447
	Energy 298.15K		262
	Atomization Enthalpy 298.15K	x	250	x
	Atomization Enthalpy 0K	x	252	x
	Entropy (298.15K)	x	217	x
	Entropy at any temperature		217
	Integrated Heat Capacity	x	217	x
	Heat Capacity (Cp)	x	217	x
	Nuclear Repulsion Energy		400
	HOMO-LUMO Energies		391
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	361
	Internal Coordinates	x	361	x
	Products of moments of inertia	x	370	x
	Rotational Constants	x	379	x
	Point Group		381
Vibrations	Vibrational Frequencies	x	378	x
	Vibrational Intensities		347
	Zero-point energies	x	378	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	180
Electrostatics	Atom charges		258
	Dipole		247
	Quadrupole		240
	Polarizability		234
Other results	Spin		175
	Number of basis functions		31
	Diagnostics		6
	Conformations		1