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

All data (experiment and calculated) in the CCCBDB for BF3- (Borane, trifluoro- anion)

INChI
InChI=1S/BF3/c2-1(3)4/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   486  
Energy 298.15K   16  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  188 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   480  
HOMO-LUMO Energies HOMO energies   479  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  479  
Internal Coordinates bond lengths bond angles  479 
Products of moments of inertia moments of inertia  462 
Rotational Constants rotational constants  473 
Point Group  481 
Vibrations Vibrational Frequencies vibrations  481 
Vibrational Intensities  434 
Zero-point energies  481 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   277  
Dipole dipole  279 
Quadrupole quadrupole  279 
Polarizability polarizability  246 
Other results Spin   473  
Number of basis functions   34  
Diagnostics   0  
Conformations   2 x