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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   233  
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   231  
HOMO-LUMO Energies HOMO energies   231  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  49  
Internal Coordinates bond lengths bond angles  49 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  224 
Point Group  232 
Vibrations Vibrational Frequencies vibrations  224 
Vibrational Intensities  210 
Zero-point energies  224 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   137  
Dipole dipole  137 
Quadrupole quadrupole  137 
Polarizability polarizability  123 
Other results Spin   0  
Number of basis functions   1  
Diagnostics   0  
Conformations   1