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

1907021335
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;
INChI
InChI=1S/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   255  
Energy 298.15K   246  
Atomization Enthalpy 298.15K x183x
Atomization Enthalpy 0K x186x
Entropy (298.15K) entropy x172x
Entropy at any temperature   172  
Integrated Heat Capacity integrated heat capacity x172x
Heat Capacity (Cp) Heat capacity x171x
Nuclear Repulsion Energy   226  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x203  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x221x
Rotational Constants rotational constants x226x
Point Group  226 
Vibrations Vibrational Frequencies vibrations fun. 227x
Vibrational Intensities  232 
Zero-point energies x227x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   187  
Dipole dipole x191x
Quadrupole quadrupole  185 
Polarizability polarizability x176x
Other results Spin   0  
Number of basis functions   7  
Conformations   1