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

All data (experiment and calculated) in the CCCBDB for LiBr- (lithium bromide cation)

INChI
InChI=1S/BrH.Li/h1H;/p-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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   210  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  183 
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   206  
HOMO-LUMO Energies HOMO energies   206  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  206  
Internal Coordinates bond lengths bond angles  206 
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants  206 
Point Group  207 
Vibrations Vibrational Frequencies vibrations  206 
Vibrational Intensities  193 
Zero-point energies  206 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   116  
Dipole dipole  121 
Quadrupole quadrupole  121 
Polarizability polarizability  121 
Other results Spin   193  
Number of basis functions   28  
Diagnostics   1  
Conformations   1