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

All data (experiment and calculated) in the CCCBDB for BO- (boron monoxide anion)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   322  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  210 
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   316  
HOMO-LUMO Energies HOMO energies   316  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  297  
Internal Coordinates bond lengths bond angles  297 
Products of moments of inertia moments of inertia  308 
Rotational Constants rotational constants  315 
Point Group  317 
Vibrations Vibrational Frequencies vibrations  315 
Vibrational Intensities  269 
Zero-point energies  315 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   154  
Dipole dipole  166 
Quadrupole quadrupole  164 
Polarizability polarizability  151 
Other results Spin   10  
Number of basis functions   5  
Diagnostics   1  
Conformations   1