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

All data (experiment and calculated) in the CCCBDB for BF (Boron monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		309
	Energy 298.15K		296
	Atomization Enthalpy 298.15K	x	279	x
	Atomization Enthalpy 0K	x	293	x
	Entropy (298.15K)	x	263	x
	Entropy at any temperature		263
	Integrated Heat Capacity	x	263	x
	Heat Capacity (Cp)	x	263	x
	Nuclear Repulsion Energy		261
	HOMO-LUMO Energies		232
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	227
	Internal Coordinates	x	227	x
	Products of moments of inertia	x	246	x
	Rotational Constants	x	249	x
	Point Group		249
Vibrations	Vibrational Frequencies	x	249	x
	Vibrational Intensities		224
	Zero-point energies	x	249	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		155
	Dipole	x	160	x
	Quadrupole		163
	Polarizability		94
Other results	Spin		12
	Number of basis functions		34
	Diagnostics		6
	Conformations		1