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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   317  
Energy 298.15K   30  
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   311  
HOMO-LUMO Energies HOMO energies   311  
Barriers to Internal Rotation internal rotation  16 
Geometries Cartesians  311  
Internal Coordinates bond lengths bond angles x311x
Products of moments of inertia moments of inertia  301 
Rotational Constants rotational constants  311 
Point Group  313 
Vibrations Vibrational Frequencies vibrations  333 
Vibrational Intensities  319 
Zero-point energies  333 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole  169 
Quadrupole quadrupole  169 
Polarizability polarizability  169 
Other results Spin   0  
Number of basis functions   22  
Diagnostics   0  
Conformations   2 x