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

All data (experiment and calculated) in the CCCBDB for BeF- (Beryllium monofluoride anion)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   633  
Energy 298.15K   17  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  208 
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   626  
HOMO-LUMO Energies HOMO energies   626  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  610  
Internal Coordinates bond lengths bond angles  610 
Products of moments of inertia moments of inertia  610 
Rotational Constants rotational constants  625 
Point Group  627 
Vibrations Vibrational Frequencies vibrations  626 
Vibrational Intensities  553 
Zero-point energies  626 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   352  
Dipole dipole  430 
Quadrupole quadrupole  400 
Polarizability polarizability  347 
Other results Spin   10  
Number of basis functions   35  
Diagnostics   1  
Conformations   1