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

All data (experiment and calculated) in the CCCBDB for BeF (Beryllium monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		250
	Energy 298.15K		229
	Atomization Enthalpy 298.15K	x	223	x
	Atomization Enthalpy 0K	x	234	x
	Entropy (298.15K)	x	197	x
	Entropy at any temperature		197
	Integrated Heat Capacity	x	197	x
	Heat Capacity (Cp)	x	197	x
	Nuclear Repulsion Energy		212
	HOMO-LUMO Energies		183
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	187
	Internal Coordinates	x	187	x
	Products of moments of inertia	x	205	x
	Rotational Constants	x	209	x
	Point Group		216
Vibrations	Vibrational Frequencies	x	209	x
	Vibrational Intensities		191
	Zero-point energies	x	209	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		146
	Dipole		144
	Quadrupole		148
	Polarizability		128
Other results	Spin		141
	Number of basis functions		32
	Diagnostics		5
	Conformations		1