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All data (experiment and calculated) in the CCCBDB for HOBr (Hypobromous acid)

1907021335
INChI
InChI=1S/BrHO/c1-2/h2H

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 x    
Energy 0K   438  
Energy 298.15K   421  
Atomization Enthalpy 298.15K  12 
Atomization Enthalpy 0K x12x
Entropy (298.15K) entropy  1 
Entropy at any temperature   1  
Integrated Heat Capacity integrated heat capacity  1 
Heat Capacity (Cp) Heat capacity  1 
Nuclear Repulsion Energy   420  
HOMO-LUMO Energies HOMO energies   376  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x417  
Internal Coordinates bond lengths bond angles x416x
Products of moments of inertia moments of inertia x409x
Rotational Constants rotational constants x418x
Point Group  425 
Vibrations Vibrational Frequencies vibrations fun. 415x
Vibrational Intensities  592 
Zero-point energies x415x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   248  
Dipole dipole x302x
Quadrupole quadrupole  259 
Polarizability polarizability  299 
Other results Spin   0  
Number of basis functions   56  
Conformations   1