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All data (experiment and calculated) in the CCCBDB for CF2Cl2 (difluorodichloromethane)

1907021335
Other names
Algofrene Type 2; Arcton 12; Arcton 6; Chlorofluoromethane (CCl2F2); Dichlorodifluoromethane; Difluorodichloromethane; Dwuchlorodwufluorometan; Electro-CF 12; Eskimon 12; F 12; FC 12; Fluorocarbon 12; Freon 12; Freon F-12; Frigen 12; Genetron 12; Halon; Halon 122; Isceon 122; Isotron 12; Kaiser chemicals 12; Ledon 12; Methane, dichlorodifluoro-; Propellant 12; R 12; R 12, Refrigerant; Refrigerant 12; Ucon 12; Ucon 12/halocarbon 12;
INChI
InChI=1S/CCl2F2/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   711  
Energy 298.15K   437  
Atomization Enthalpy 298.15K x19x
Atomization Enthalpy 0K x19x
Entropy (298.15K) entropy x18x
Entropy at any temperature   18  
Integrated Heat Capacity integrated heat capacity x18x
Heat Capacity (Cp) Heat capacity x18x
Nuclear Repulsion Energy   695  
HOMO-LUMO Energies HOMO energies   626  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x688  
Internal Coordinates bond lengths bond angles x688x
Products of moments of inertia moments of inertia x679x
Rotational Constants rotational constants x689x
Point Group  696 
Vibrations Vibrational Frequencies vibrations fun. 675x
Vibrational Intensities x864x
Zero-point energies x675x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   487  
Electronic States Electronic states x 0  
Electrostatics Atom charges   424  
Dipole dipole x574x
Quadrupole quadrupole  484 
Polarizability polarizability x502x
Other results Spin   0  
Number of basis functions   39  
Conformations   1