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

All data (experiment and calculated) in the CCCBDB for NaBr- (sodium bromide anion)

INChI
InChI=1S/BrH.Na/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   206  
Energy 298.15K   6  
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   199  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  199  
Internal Coordinates bond lengths bond angles  199 
Products of moments of inertia moments of inertia  196 
Rotational Constants rotational constants  199 
Point Group  200 
Vibrations Vibrational Frequencies vibrations  199 
Vibrational Intensities  186 
Zero-point energies  199 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   114  
Dipole dipole  119 
Quadrupole quadrupole  119 
Polarizability polarizability  120 
Other results Spin   188  
Number of basis functions   27  
Diagnostics   0  
Conformations   1