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

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

Other names
1,2-Difluoroethylene, (Z)-; Ethylene, 1,2-difluoro-(Z)-; Z-1,2-Difluoroethene; (Z)-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   242  
Energy 298.15K   210  
Atomization Enthalpy 298.15K  187 
Atomization Enthalpy 0K  189 
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   237  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x224  
Internal Coordinates bond lengths bond angles x224x
Products of moments of inertia moments of inertia x229x
Rotational Constants rotational constants x237x
Point Group  238 
Vibrations Vibrational Frequencies vibrations  232 
Vibrational Intensities  228 
Zero-point energies  232 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   141  
Dipole dipole x146x
Quadrupole quadrupole x144x
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   1  
Conformations   1