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

All data (experiment and calculated) in the CCCBDB for BrO (Bromine monoxide)


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      
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 x241  
Internal Coordinates bond lengths bond angles x241x
Products of moments of inertia moments of inertia x232x
Rotational Constants rotational constants x237x
Point Group  257 
Vibrations Vibrational Frequencies vibrations x236x
Vibrational Intensities  218 
Zero-point energies x236x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  129 
Quadrupole quadrupole  126 
Polarizability polarizability  115 
Other results Spin   255  
Number of basis functions   54  
Diagnostics   0  
Conformations   1