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

All data (experiment and calculated) in the CCCBDB for COBr2 (Carbonic dibromide)

INChI
InChI=1S/CBr2O/c2-1(3)4

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   261  
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   256  
HOMO-LUMO Energies HOMO energies   256  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  239  
Internal Coordinates bond lengths bond angles  239 
Products of moments of inertia moments of inertia  229 
Rotational Constants rotational constants  234 
Point Group  257 
Vibrations Vibrational Frequencies vibrations x233x
Vibrational Intensities  219 
Zero-point energies x233x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   142  
Dipole dipole  142 
Quadrupole quadrupole  139 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   0  
Conformations   1