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

All data (experiment and calculated) in the CCCBDB for BrCl- (bromine chloride anion)

INChI
InChI=1S/BrCl/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   213  
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   208  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  208  
Internal Coordinates bond lengths bond angles  208 
Products of moments of inertia moments of inertia  203 
Rotational Constants rotational constants  208 
Point Group  209 
Vibrations Vibrational Frequencies vibrations  208 
Vibrational Intensities  195 
Zero-point energies  208 
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   195  
Number of basis functions   27  
Diagnostics   1  
Conformations   1