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

All data (experiment and calculated) in the CCCBDB for Br2- (bromine diatomic anion)

INChI
InChI=1S/Br2/c1-2/q-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   207  
Energy 298.15K   8  
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   203  
HOMO-LUMO Energies HOMO energies   203  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  203  
Internal Coordinates bond lengths bond angles  203 
Products of moments of inertia moments of inertia  198 
Rotational Constants rotational constants  203 
Point Group  204 
Vibrations Vibrational Frequencies vibrations  203 
Vibrational Intensities  191 
Zero-point energies  203 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   118  
Dipole dipole  123 
Quadrupole quadrupole  123 
Polarizability polarizability  123 
Other results Spin   196  
Number of basis functions   27  
Diagnostics   0  
Conformations   1