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

All data (experiment and calculated) in the CCCBDB for F2+ (flourine diatomic cation)


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   259  
Energy 298.15K   234  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  215 
Entropy at any temperature   215  
Integrated Heat Capacity integrated heat capacity  215 
Heat Capacity (Cp) Heat capacity  215 
Nuclear Repulsion Energy   252  
HOMO-LUMO Energies HOMO energies   251  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  242 
Rotational Constants rotational constants  250 
Point Group  253 
Vibrations Vibrational Frequencies vibrations  251 
Vibrational Intensities  231 
Zero-point energies  251 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  146 
Quadrupole quadrupole  144 
Polarizability polarizability  147 
Other results Spin   250  
Number of basis functions   7  
Diagnostics   1  
Conformations   1