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

All data (experiment and calculated) in the CCCBDB for CHClBr2 (Methane, dibromochloro-)

Other names
Chlorodibromomethane; Dibromochloromethane; Methane, chlorodibromo-; Monochlorodibromomethane; Dibromomonochloromethane; Chlorobromoform;
INChI
InChI=1S/CHBr2Cl/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   251  
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   251  
HOMO-LUMO Energies HOMO energies   257  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  229  
Internal Coordinates bond lengths bond angles  229 
Products of moments of inertia moments of inertia  216 
Rotational Constants rotational constants  221 
Point Group  258 
Vibrations Vibrational Frequencies vibrations  221 
Vibrational Intensities  210 
Zero-point energies  221 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   138  
Dipole dipole  138 
Quadrupole quadrupole  137 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1