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

All data (experiment and calculated) in the CCCBDB for BBr (Boron monobromide)


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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   335  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   333  
HOMO-LUMO Energies HOMO energies   333  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x333  
Internal Coordinates bond lengths bond angles x333x
Products of moments of inertia moments of inertia x325x
Rotational Constants rotational constants x333x
Point Group  334 
Vibrations Vibrational Frequencies vibrations x333x
Vibrational Intensities  296 
Zero-point energies x333x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1