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

1907021335
Other names
1,2-Difluoroethylene, (Z)-; Ethylene, 1,2-difluoro-(Z)-; Z-1,2-Difluoroethene; (Z)-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   267  
Energy 298.15K   256  
Atomization Enthalpy 298.15K  175 
Atomization Enthalpy 0K  175 
Entropy (298.15K) entropy  180 
Entropy at any temperature   180  
Integrated Heat Capacity integrated heat capacity  180 
Heat Capacity (Cp) Heat capacity  180 
Nuclear Repulsion Energy   255  
HOMO-LUMO Energies HOMO energies   258  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x245  
Internal Coordinates bond lengths bond angles x244x
Products of moments of inertia moments of inertia x254x
Rotational Constants rotational constants x258x
Point Group  259 
Vibrations Vibrational Frequencies vibrations  253 
Vibrational Intensities  265 
Zero-point energies  253 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   170  
Dipole dipole x178x
Quadrupole quadrupole x172x
Polarizability polarizability  177 
Other results Spin   0  
Number of basis functions   8  
Conformations   1