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

All data (experiment and calculated) in the CCCBDB for CF4 (Carbon tetrafluoride)

Other names
Arcton 0; Carbon fluoride; Carbon fluoride (CF4); Carbon tetrafluoride; F 14; FC 14; Freon 14; Halocarbon 14; Halon 14; Methane, tetrafluoro-; Perfluoromethane; R 14; Refrigerant 14; Tetrafluoromethane; UN 1982;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   221  
Energy 298.15K   198  
Atomization Enthalpy 298.15K x192x
Atomization Enthalpy 0K x194x
Entropy (298.15K) entropy x180x
Entropy at any temperature   180  
Integrated Heat Capacity integrated heat capacity x180x
Heat Capacity (Cp) Heat capacity x179x
Nuclear Repulsion Energy   198  
HOMO-LUMO Energies HOMO energies   191  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia  188 
Rotational Constants rotational constants  193 
Point Group  193 
Vibrations Vibrational Frequencies vibrations x196x
Vibrational Intensities  192 
Zero-point energies x196x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole x161x
Quadrupole quadrupole  155 
Polarizability polarizability x141x
Other results Spin   0  
Number of basis functions   5  
Diagnostics   4  
Conformations   1