National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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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;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   262  
Energy 298.15K   173  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K x174x
Entropy (298.15K) entropy x169x
Entropy at any temperature   169  
Integrated Heat Capacity integrated heat capacity x169x
Heat Capacity (Cp) Heat capacity x169x
Nuclear Repulsion Energy   238  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x224  
Internal Coordinates bond lengths bond angles x224x
Products of moments of inertia moments of inertia x233x
Rotational Constants rotational constants x237x
Point Group  237 
Vibrations Vibrational Frequencies vibrations x2097x
Vibrational Intensities x248x
Zero-point energies x233x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   170  
Dipole dipole x197x
Quadrupole quadrupole  183 
Polarizability polarizability x162x
Other results Spin   0  
Number of basis functions   6  
Conformations   1  
2015 06 10 17:36