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

All data (experiment and calculated) in the CCCBDB for CHF2CHF2 (1,1,2,2-tetrafluoroethane)

Other names
Ethane, 1,1,2,2-tetrafluoro-; Freon 134; R 134;
INChI
InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H

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   314  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   315  
HOMO-LUMO Energies HOMO energies   286  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  315  
Internal Coordinates bond lengths bond angles  315 
Products of moments of inertia moments of inertia  302 
Rotational Constants rotational constants  310 
Point Group  316 
Vibrations Vibrational Frequencies vibrations  310 
Vibrational Intensities  285 
Zero-point energies  310 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole  258 
Quadrupole quadrupole  230 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1