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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;
INChI
InChI=1S/CBr2F2/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   254  
Energy 298.15K   7  
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   253  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  252  
Internal Coordinates bond lengths bond angles  252 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  240 
Point Group  254 
Vibrations Vibrational Frequencies vibrations x240x
Vibrational Intensities  228 
Zero-point energies x240x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   161  
Dipole dipole  161 
Quadrupole quadrupole  161 
Polarizability polarizability  161 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   0  
Conformations   1