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

All data (experiment and calculated) in the CCCBDB for AlF- (Aluminum monofluoride anion)

INChI
InChI=1S/Al.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   245  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  163 
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   240  
HOMO-LUMO Energies HOMO energies   240  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  240  
Internal Coordinates bond lengths bond angles  240 
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  239 
Point Group  241 
Vibrations Vibrational Frequencies vibrations  239 
Vibrational Intensities  225 
Zero-point energies  239 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  141 
Quadrupole quadrupole  139 
Polarizability polarizability  142 
Other results Spin   228  
Number of basis functions   5  
Diagnostics   1  
Conformations   1