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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;
INChI
InChI=1/CF4/c2-1(3,4)5

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   211  
Energy 298.15K   197  
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   188  
HOMO-LUMO Energies HOMO energies   180  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x160  
Internal Coordinates bond lengths bond angles x160x
Products of moments of inertia moments of inertia  179 
Rotational Constants rotational constants  183 
Point Group  183 
Vibrations Vibrational Frequencies vibrations x186x
Vibrational Intensities  182 
Zero-point energies x186x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   154  
Dipole dipole x156x
Quadrupole quadrupole  152 
Polarizability polarizability x135x
Other results Spin   0  
Number of basis functions   25  
Diagnostics   4  
Conformations   1