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

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

INChI
InChI=1S/Be.FH/h;1H/p-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   286  
Energy 298.15K   10  
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   281  
HOMO-LUMO Energies HOMO energies   281  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  265  
Internal Coordinates bond lengths bond angles  265 
Products of moments of inertia moments of inertia  274 
Rotational Constants rotational constants  281 
Point Group  282 
Vibrations Vibrational Frequencies vibrations  282 
Vibrational Intensities  246 
Zero-point energies  282 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   156  
Dipole dipole  161 
Quadrupole quadrupole  161 
Polarizability polarizability  145 
Other results Spin   12  
Number of basis functions   32  
Diagnostics   1  
Conformations   1