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

All data (experiment and calculated) in the CCCBDB for B2- (Boron diatomic anion)

INChI
InChI=1S/B2/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   246  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  193 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   241  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  227  
Internal Coordinates bond lengths bond angles  227 
Products of moments of inertia moments of inertia  232 
Rotational Constants rotational constants  240 
Point Group  242 
Vibrations Vibrational Frequencies vibrations  241 
Vibrational Intensities  223 
Zero-point energies  241 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  132 
Quadrupole quadrupole  130 
Polarizability polarizability  133 
Other results Spin   239  
Number of basis functions   58  
Diagnostics   1  
Conformations   1