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

All data (experiment and calculated) in the CCCBDB for CFCl3 (Trichloromonofluoromethane)

Other names
Algofrene Type 1; Arcton 11; Arcton 9; Chlorofluoromethane (CCl3F); Daiflon 11; Daiflon S 1; Electro-CF 11; F 11; F 11B; FC 11; FC 11, Halocarbon; FKW 11; Fluorocarbon 11; Fluorochloroform; Fluorotrichloromethane; Freon 11; Freon MF; Freon R 11; Frigen 11; Frigen 11A; Frigen S 11; Genetron 11; Halon 11; Isceon 131; Isotron 11; Kaltron 11; Khladon 11; Ledon 11; Methane, trichlorofluoro-; Monofluorotrichloromethane; Propellant 11; R 11; R 11, Halocarbon; Refrigerant 11; Refrigerant R11; Trichloromonofluoromethane; Trichlorofluoromethane; Triclorofluormethane;
INChI
InChI=1/CCl3F/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   197  
Energy 298.15K   177  
Atomization Enthalpy 298.15K x172x
Atomization Enthalpy 0K x181x
Entropy (298.15K) entropy x175x
Entropy at any temperature   175  
Integrated Heat Capacity integrated heat capacity x175x
Heat Capacity (Cp) Heat capacity x175x
Nuclear Repulsion Energy   180  
HOMO-LUMO Energies HOMO energies   170  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x162  
Internal Coordinates bond lengths bond angles x162x
Products of moments of inertia moments of inertia  172 
Rotational Constants rotational constants x176x
Point Group  177 
Vibrations Vibrational Frequencies vibrations x176x
Vibrational Intensities x174x
Zero-point energies x176x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   146  
Dipole dipole x148x
Quadrupole quadrupole  144 
Polarizability polarizability x128x
Other results Spin   0  
Number of basis functions   26  
Diagnostics   4  
Conformations   1