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

All data (experiment and calculated) in the CCCBDB for AlF+ (Aluminum monofluoride cation)

INChI
InChI=1S/Al.FH/h;1H/q+2;/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   244  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   239  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  239  
Internal Coordinates bond lengths bond angles  239 
Products of moments of inertia moments of inertia  230 
Rotational Constants rotational constants  238 
Point Group  240 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  224 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  142 
Other results Spin   237  
Number of basis functions   5  
Diagnostics   1  
Conformations   1