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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   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  230  
Internal Coordinates bond lengths bond angles  230 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  225 
Point Group  258 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  211 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   136  
Dipole dipole  136 
Quadrupole quadrupole  136 
Polarizability polarizability  126 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   0  
Conformations   1