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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   223  
Energy 298.15K   209  
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   218  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia x211x
Rotational Constants rotational constants x218x
Point Group  219 
Vibrations Vibrational Frequencies vibrations  215 
Vibrational Intensities  211 
Zero-point energies  215 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   133  
Dipole dipole x133x
Quadrupole quadrupole x133x
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   1  
Conformations   1