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

All data (experiment and calculated) in the CCCBDB for CHBr3 (bromoform)

Other names
Methenyl tribromide; Methane, tribromo-; Bromoforme; Tribromomethane; Tribromometan; bromoform;
INChI
InChI=1/CHBr3/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   232  
Energy 298.15K   198  
Atomization Enthalpy 298.15K x186x
Atomization Enthalpy 0K  188 
Entropy (298.15K) entropy x175x
Entropy at any temperature   175  
Integrated Heat Capacity integrated heat capacity x175x
Heat Capacity (Cp) Heat capacity x175x
Nuclear Repulsion Energy   209  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x208  
Internal Coordinates bond lengths bond angles x208x
Products of moments of inertia moments of inertia  206 
Rotational Constants rotational constants x209x
Point Group  211 
Vibrations Vibrational Frequencies vibrations x209x
Vibrational Intensities  205 
Zero-point energies x209x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   134  
Dipole dipole x139x
Quadrupole quadrupole  134 
Polarizability polarizability  135 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1