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

All data (experiment and calculated) in the CCCBDB for CF2+ (Difluoromethylene cation)

INChI
InChI=1S/CF2/c2-1-3/q+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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   273  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   268  
HOMO-LUMO Energies HOMO energies   268  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  267  
Internal Coordinates bond lengths bond angles  267 
Products of moments of inertia moments of inertia  260 
Rotational Constants rotational constants  268 
Point Group  269 
Vibrations Vibrational Frequencies vibrations  284 
Vibrational Intensities  250 
Zero-point energies  284 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   144  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  142 
Other results Spin   266  
Number of basis functions   8  
Diagnostics   1  
Conformations   1