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

All data (experiment and calculated) in the CCCBDB for BrOBr (Bromine oxide)

INChI
InChI=1S/Br2O/c1-3-2

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   239  
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   237  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  236 
Point Group  238 
Vibrations Vibrational Frequencies vibrations x235x
Vibrational Intensities  219 
Zero-point energies  235 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   143  
Dipole dipole  143 
Quadrupole quadrupole  140 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1