return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for BrO- (Bromine monoxide anion)

1907021335
INChI
InChI=1S/BrO/c1-2/q-1

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   357  
Energy 298.15K   350  
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   355  
HOMO-LUMO Energies HOMO energies   358  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  358  
Internal Coordinates bond lengths bond angles  358 
Products of moments of inertia moments of inertia  349 
Rotational Constants rotational constants  357 
Point Group  359 
Vibrations Vibrational Frequencies vibrations  356 
Vibrational Intensities  324 
Zero-point energies  356 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   215  
Dipole dipole  284 
Quadrupole quadrupole  254 
Polarizability polarizability  256 
Other results Spin   0  
Number of basis functions   95  
Conformations   1