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

All data (experiment and calculated) in the CCCBDB for BHF2 (Difluoroborane)

Other names
Difluoroborane;
INChI
InChI=1/BF2H/c2-1-3/h1H

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   280  
Energy 298.15K   250  
Atomization Enthalpy 298.15K x243x
Atomization Enthalpy 0K x246x
Entropy (298.15K) entropy x207x
Entropy at any temperature   207  
Integrated Heat Capacity integrated heat capacity x207x
Heat Capacity (Cp) Heat capacity x207x
Nuclear Repulsion Energy   234  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x192  
Internal Coordinates bond lengths bond angles x192x
Products of moments of inertia moments of inertia x209x
Rotational Constants rotational constants x213x
Point Group  215 
Vibrations Vibrational Frequencies vibrations x210x
Vibrational Intensities  203 
Zero-point energies  210 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   179  
Dipole dipole  169 
Quadrupole quadrupole  163 
Polarizability polarizability  147 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1