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

All data (experiment and calculated) in the CCCBDB for C2H4F2 (1,2-difluoroethane)

Other names
Ethylene difluoride; Ethane, 1,2-difluoro-; FC143; Freon 152; 1,2-difluoroethane;
INChI
InChI=1/C2H4F2/c3-1-2-4/h1-2H2

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   338  
Energy 298.15K   32  
Atomization Enthalpy 298.15K  27 
Atomization Enthalpy 0K  289 
Entropy (298.15K) entropy  15 
Entropy at any temperature   15  
Integrated Heat Capacity integrated heat capacity  15 
Heat Capacity (Cp) Heat capacity  15 
Nuclear Repulsion Energy   332  
HOMO-LUMO Energies HOMO energies   332  
Barriers to Internal Rotation internal rotation  16 
Geometries Cartesians  332  
Internal Coordinates bond lengths bond angles x330x
Products of moments of inertia moments of inertia  320 
Rotational Constants rotational constants  332 
Point Group  334 
Vibrations Vibrational Frequencies vibrations  352 
Vibrational Intensities  338 
Zero-point energies  352 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   180  
Dipole dipole  182 
Quadrupole quadrupole  176 
Polarizability polarizability  182 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   2 x