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

All data (experiment and calculated) in the CCCBDB for BO2- (Boron dioxide anion)

INChI
InChI=1S/BO2/c2-1-3/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   249  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   242  
HOMO-LUMO Energies HOMO energies   242  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  242  
Internal Coordinates bond lengths bond angles  242 
Products of moments of inertia moments of inertia  236 
Rotational Constants rotational constants  242 
Point Group  243 
Vibrations Vibrational Frequencies vibrations  258 
Vibrational Intensities  235 
Zero-point energies  258 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   125  
Dipole dipole  135 
Quadrupole quadrupole  131 
Polarizability polarizability  135 
Other results Spin   4  
Number of basis functions   5  
Diagnostics   0  
Conformations   1