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

All data (experiment and calculated) in the CCCBDB for NaBr+ (sodium bromide cation)

INChI
InChI=1S/BrH.Na/h1H;/q;+2/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   209  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  152 
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   203  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  202  
Internal Coordinates bond lengths bond angles  202 
Products of moments of inertia moments of inertia  195 
Rotational Constants rotational constants  201 
Point Group  204 
Vibrations Vibrational Frequencies vibrations  201 
Vibrational Intensities  188 
Zero-point energies  201 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   104  
Dipole dipole  115 
Quadrupole quadrupole  113 
Polarizability polarizability  117 
Other results Spin   202  
Number of basis functions   4  
Diagnostics   0  
Conformations   1