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

All data (experiment and calculated) in the CCCBDB for BF4- (tetrafluoroboron anion)

INChI
InChI=1S/BF4/c2-1(3,4)5/q-1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   202  
Energy 298.15K   186  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  174 
Entropy (298.15K) entropy x171x
Entropy at any temperature   171  
Integrated Heat Capacity integrated heat capacity  171 
Heat Capacity (Cp) Heat capacity  171 
Nuclear Repulsion Energy   193  
HOMO-LUMO Energies HOMO energies   193  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  183  
Internal Coordinates bond lengths bond angles  183 
Products of moments of inertia moments of inertia  188 
Rotational Constants rotational constants  193 
Point Group  194 
Vibrations Vibrational Frequencies vibrations  194 
Vibrational Intensities  190 
Zero-point energies  194 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   113  
Dipole dipole  118 
Quadrupole quadrupole  118 
Polarizability polarizability  119 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1