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

All data (experiment and calculated) in the CCCBDB for CHBrF2 (Methane, bromodifluoro-)

Other names
Bromodifluoromethane; Difluorobromomethane;
INChI
InChI=1S/CHBrF2/c2-1(3)4/h1H

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   246  
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   244  
HOMO-LUMO Energies HOMO energies   244  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  244  
Internal Coordinates bond lengths bond angles  244 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  240 
Point Group  245 
Vibrations Vibrational Frequencies vibrations  239 
Vibrational Intensities  223 
Zero-point energies  239 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   143  
Dipole dipole x147x
Quadrupole quadrupole  144 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1