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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   210  
Energy 298.15K   196  
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   187  
HOMO-LUMO Energies HOMO energies   186  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x187  
Internal Coordinates bond lengths bond angles x187x
Products of moments of inertia moments of inertia  186 
Rotational Constants rotational constants x187x
Point Group  189 
Vibrations Vibrational Frequencies vibrations x188x
Vibrational Intensities  184 
Zero-point energies x188x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   124  
Dipole dipole  124 
Quadrupole quadrupole  121 
Polarizability polarizability  125 
Other results Spin   0  
Number of basis functions   8  
Diagnostics   4  
Conformations   1