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

All data (experiment and calculated) in the CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

Other names
Dibromodifluoromethane; Difluorodibromomethane;

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   911  
Energy 298.15K   25  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   911  
HOMO-LUMO Energies HOMO energies   902  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  902  
Internal Coordinates bond lengths bond angles  902 
Products of moments of inertia moments of inertia  870 
Rotational Constants rotational constants  889 
Point Group  912 
Vibrations Vibrational Frequencies vibrations x887x
Vibrational Intensities  811 
Zero-point energies x887x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   543  
Dipole dipole x677x
Quadrupole quadrupole  618 
Polarizability polarizability  543 
Other results Spin   0  
Number of basis functions   52  
Diagnostics   0  
Conformations   2 x