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

All data (experiment and calculated) in the CCCBDB for CH2CHF+ (fluoroethene cation)

INChI
InChI=1S/C2H3F/c1-2-3/h2H,1H2/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   19  
Energy 298.15K   1  
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   19  
HOMO-LUMO Energies HOMO energies   19  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  19  
Internal Coordinates bond lengths bond angles  18 
Products of moments of inertia moments of inertia  18 
Rotational Constants rotational constants  19 
Point Group  20 
Vibrations Vibrational Frequencies vibrations  19 
Vibrational Intensities  19 
Zero-point energies  19 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   3  
Dipole dipole  13 
Quadrupole quadrupole  11 
Polarizability polarizability  15 
Other results Spin   10  
Number of basis functions   6  
Diagnostics   0  
Conformations   1