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

All data (experiment and calculated) in the CCCBDB for B₂F₄ (Diboron tetrafluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		210
	Energy 298.15K		200
	Atomization Enthalpy 298.15K	x	197	x
	Atomization Enthalpy 0K	x	195	x
	Entropy (298.15K)	x	180	x
	Entropy at any temperature		180
	Integrated Heat Capacity	x	180	x
	Heat Capacity (Cp)	x	180	x
	Nuclear Repulsion Energy		186
	HOMO-LUMO Energies		182
	Barriers to Internal Rotation	x	27	x
Geometries	Cartesians	x	159
	Internal Coordinates	x	159	x
	Products of moments of inertia		179
	Rotational Constants		182
	Point Group		188
Vibrations	Vibrational Frequencies	x	183	x
	Vibrational Intensities		175
	Zero-point energies	x	183	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		148
	Dipole	x	149	x
	Quadrupole		146
	Polarizability		153
Other results	Spin		0
	Number of basis functions		23
	Diagnostics		5
	Conformations		1