National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

All data (experiment and calculated) in the CCCBDB for CBr4 (Carbon tetrabromide)

Other names
Tetrabromomethane; Methane, tetrabromo-; Methane tetrabromide; Carbon bromide; perbromomethane;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   215  
Energy 298.15K   178  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K x167x
Entropy (298.15K) entropy x172x
Entropy at any temperature   172  
Integrated Heat Capacity integrated heat capacity x172x
Heat Capacity (Cp) Heat capacity x172x
Nuclear Repulsion Energy   206  
HOMO-LUMO Energies HOMO energies   207  
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 x205x
Rotational Constants rotational constants x208x
Point Group  209 
Vibrations Vibrational Frequencies vibrations x1872x
Vibrational Intensities  208 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   138  
Dipole dipole x140x
Quadrupole quadrupole  134 
Polarizability polarizability  141 
Other results Spin   0  
Number of basis functions   4  
Conformations   1  
2015 06 10 17:36