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

All data (experiment and calculated) in the CCCBDB for OBrO (OBrO)

INChI
InChI=1S/BrO2/c2-1-3

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   247  
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   246  
HOMO-LUMO Energies HOMO energies   246  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  245  
Internal Coordinates bond lengths bond angles  245 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  240 
Point Group  247 
Vibrations Vibrational Frequencies vibrations x240x
Vibrational Intensities  210 
Zero-point energies  240 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   138  
Dipole dipole  138 
Quadrupole quadrupole  137 
Polarizability polarizability  124 
Other results Spin   246  
Number of basis functions   26  
Diagnostics   0  
Conformations   1