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

All data (experiment and calculated) in the CCCBDB for CBrClF2 (Methane, bromochlorodifluoro-)

Other names
Bromochlorodifluoromethane; Difluorochlorobromomethane; Chlorodifluoromonobromomethane; Chlorodifluorobromomethane; Chlorobromodifluoromethane;
INChI
InChI=1S/CBrClF2/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   232  
Energy 298.15K   6  
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   230  
HOMO-LUMO Energies HOMO energies   230  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  48  
Internal Coordinates bond lengths bond angles  48 
Products of moments of inertia moments of inertia  219 
Rotational Constants rotational constants  223 
Point Group  231 
Vibrations Vibrational Frequencies vibrations  223 
Vibrational Intensities  209 
Zero-point energies  223 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   136  
Dipole dipole  136 
Quadrupole quadrupole  136 
Polarizability polarizability  122 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   0  
Conformations   1