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

All data (experiment and calculated) in the CCCBDB for HBr (hydrogen bromide)

Other names
Bromwasserstoff; Hydrobromic acid; hydrogen bromide;
INChI
InChI=1/BrH/h1H

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   240  
Energy 298.15K   204  
Atomization Enthalpy 298.15K x191x
Atomization Enthalpy 0K x192x
Entropy (298.15K) entropy x181x
Entropy at any temperature   181  
Integrated Heat Capacity integrated heat capacity x181x
Heat Capacity (Cp) Heat capacity x181x
Nuclear Repulsion Energy   217  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x216  
Internal Coordinates bond lengths bond angles x216x
Products of moments of inertia moments of inertia x212x
Rotational Constants rotational constants x215x
Point Group  217 
Vibrations Vibrational Frequencies vibrations x215x
Vibrational Intensities  200 
Zero-point energies x215x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole x132x
Quadrupole quadrupole  184 
Polarizability polarizability  130 
Other results Spin   10  
Number of basis functions   5  
Diagnostics   6  
Conformations   1