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

All data (experiment and calculated) in the CCCBDB for F2 (Fluorine diatomic)

Other names
Bifluoriden; Fluor; Fluorine; Fluorine, compressed; Fluoro; Fluorures acide; Fluoruri acidi; Rcra waste number P056; Saeure fluoride; UN 1045; difluorine;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   845  
Energy 298.15K   289  
Atomization Enthalpy 298.15K x279x
Atomization Enthalpy 0K x282x
Entropy (298.15K) entropy x247x
Entropy at any temperature   247  
Integrated Heat Capacity integrated heat capacity x247x
Heat Capacity (Cp) Heat capacity x247x
Nuclear Repulsion Energy   775  
HOMO-LUMO Energies HOMO energies   744  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x728  
Internal Coordinates bond lengths bond angles x728x
Products of moments of inertia moments of inertia x747x
Rotational Constants rotational constants x752x
Point Group  755 
Vibrations Vibrational Frequencies vibrations x753x
Vibrational Intensities  720 
Zero-point energies x753x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   395  
Dipole dipole x425x
Quadrupole quadrupole  341 
Polarizability polarizability  366 
Other results Spin   19  
Number of basis functions   7  
Diagnostics   6  
Conformations   1