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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   234  
Energy 298.15K   10  
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   229  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  229  
Internal Coordinates bond lengths bond angles  229 
Products of moments of inertia moments of inertia  222 
Rotational Constants rotational constants  229 
Point Group  230 
Vibrations Vibrational Frequencies vibrations  229 
Vibrational Intensities  215 
Zero-point energies  229 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   130  
Dipole dipole  135 
Quadrupole quadrupole  135 
Polarizability polarizability  136 
Other results Spin   227  
Number of basis functions   35  
Diagnostics   1  
Conformations   1