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

All data (experiment and calculated) in the CCCBDB for F (Fluorine atom)

Other names
Fluorine atom; Fluorine radical; fluorine;
INChI
InChI=1/F

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   894  
Energy 298.15K   358  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x350x
Entropy at any temperature   350  
Integrated Heat Capacity integrated heat capacity x350x
Heat Capacity (Cp) Heat capacity x350x
Nuclear Repulsion Energy   53  
HOMO-LUMO Energies HOMO energies   196  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  1  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  754 
Vibrations Vibrational Frequencies vibrations  0 
Vibrational Intensities  0 
Zero-point energies x0x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   176  
Dipole dipole x149x
Quadrupole quadrupole  407 
Polarizability polarizability x193x
Other results Spin   683  
Number of basis functions   11  
Diagnostics   5  
Conformations   1