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

All data (experiment and calculated) in the CCCBDB for C2H2F2 (Ethene, 1,2-difluoro-, (E)-)

Other names
Ethylene, 1,2-difluoro-, (E)-; E-1,2-Difluoroethene; 1,2-Difluoroethylene, (E)-; (E)-1,2-difluoroethene;
INChI
InChI=1/C2H2F2/c3-1-2-4/h1-2H/b2-1+

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   213  
Energy 298.15K   28  
Atomization Enthalpy 298.15K  18 
Atomization Enthalpy 0K  24 
Entropy (298.15K) entropy  192 
Entropy at any temperature   192  
Integrated Heat Capacity integrated heat capacity  192 
Heat Capacity (Cp) Heat capacity  192 
Nuclear Repulsion Energy   218  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia  211 
Rotational Constants rotational constants  218 
Point Group  219 
Vibrations Vibrational Frequencies vibrations  216 
Vibrational Intensities  212 
Zero-point energies  216 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   133  
Dipole dipole  133 
Quadrupole quadrupole  133 
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   0  
Conformations   1