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

All data (experiment and calculated) in the CCCBDB for C2F4 (Tetrafluoroethylene)

Other names
1,1,2,2-Tetrafluoroethylene; Ethene, tetrafluoro-; Ethylene, tetrafluoro-; Fluoroplast 4; Perfluoroethene; Perfluoroethylene; Tetrafluorethylene; Tetrafluoroethene; Ethane, tetrafluoro-; Tetrafluoroethylene, inhibited; TFE; UN 1081;
INChI
InChI=1/C2F4/c3-1(4)2(5)6

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   196  
Energy 298.15K   187  
Atomization Enthalpy 298.15K x182x
Atomization Enthalpy 0K x182x
Entropy (298.15K) entropy x169x
Entropy at any temperature   169  
Integrated Heat Capacity integrated heat capacity x168x
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   173  
HOMO-LUMO Energies HOMO energies   165  
Barriers to Internal Rotation internal rotation  9 
Geometries Cartesians x145  
Internal Coordinates bond lengths bond angles x145x
Products of moments of inertia moments of inertia  165 
Rotational Constants rotational constants  169 
Point Group  170 
Vibrations Vibrational Frequencies vibrations x169x
Vibrational Intensities  168 
Zero-point energies x169x
Vibrational scaling factors x
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   146  
Dipole dipole x147x
Quadrupole quadrupole  144 
Polarizability polarizability  128 
Other results Spin   2  
Number of basis functions   23  
Diagnostics   4  
Conformations   1