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

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

Other names
Diboron tetrafluoride; Difluoroborane; perfluorodiborane;
INChI
InChI=1/B2F4/c3-1(4)2(5)6

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   220  
Energy 298.15K   201  
Atomization Enthalpy 298.15K x197x
Atomization Enthalpy 0K x195x
Entropy (298.15K) entropy x180x
Entropy at any temperature   180  
Integrated Heat Capacity integrated heat capacity x180x
Heat Capacity (Cp) Heat capacity x180x
Nuclear Repulsion Energy   196  
HOMO-LUMO Energies HOMO energies   192  
Barriers to Internal Rotation internal rotation x27x
Geometries Cartesians x169  
Internal Coordinates bond lengths bond angles x169x
Products of moments of inertia moments of inertia  188 
Rotational Constants rotational constants  192 
Point Group  198 
Vibrations Vibrational Frequencies vibrations x192x
Vibrational Intensities  184 
Zero-point energies x192x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   154  
Dipole dipole x154x
Quadrupole quadrupole  149 
Polarizability polarizability  159 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   5  
Conformations   3 x