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

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

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; Rcra waste number U075; Refrigerant 12; Ucon 12; Ucon 12/halocarbon 12; UN 1028;
INChI
InChI=1/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   241  
Energy 298.15K   184  
Atomization Enthalpy 298.15K x178x
Atomization Enthalpy 0K x187x
Entropy (298.15K) entropy x180x
Entropy at any temperature   180  
Integrated Heat Capacity integrated heat capacity x180x
Heat Capacity (Cp) Heat capacity x180x
Nuclear Repulsion Energy   220  
HOMO-LUMO Energies HOMO energies   213  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x203  
Internal Coordinates bond lengths bond angles x203x
Products of moments of inertia moments of inertia x210x
Rotational Constants rotational constants x215x
Point Group  217 
Vibrations Vibrational Frequencies vibrations x212x
Vibrational Intensities x207x
Zero-point energies x212x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole x169x
Quadrupole quadrupole  163 
Polarizability polarizability x143x
Other results Spin   0  
Number of basis functions   7  
Diagnostics   5  
Conformations   1