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

1907021335
Other names
Ethylene, 1,2-difluoro-, (E)-; E-1,2-Difluoroethene; 1,2-Difluoroethylene, (E)-; (E)-1,2-difluoroethene;
INChI
InChI=1S/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   255  
Energy 298.15K   242  
Atomization Enthalpy 298.15K  18 
Atomization Enthalpy 0K  22 
Entropy (298.15K) entropy  188 
Entropy at any temperature   188  
Integrated Heat Capacity integrated heat capacity  188 
Heat Capacity (Cp) Heat capacity  188 
Nuclear Repulsion Energy   258  
HOMO-LUMO Energies HOMO energies   260  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x248  
Internal Coordinates bond lengths bond angles x247x
Products of moments of inertia moments of inertia  251 
Rotational Constants rotational constants  260 
Point Group  262 
Vibrations Vibrational Frequencies vibrations  255 
Vibrational Intensities  257 
Zero-point energies  255 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole  172 
Quadrupole quadrupole  167 
Polarizability polarizability  200 
Other results Spin   0  
Number of basis functions   27  
Conformations   1