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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   238  
Energy 298.15K   8  
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   231  
HOMO-LUMO Energies HOMO energies   231  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  231  
Internal Coordinates bond lengths bond angles  231 
Products of moments of inertia moments of inertia  226 
Rotational Constants rotational constants  231 
Point Group  232 
Vibrations Vibrational Frequencies vibrations  248 
Vibrational Intensities  225 
Zero-point energies  248 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   125  
Dipole dipole  128 
Quadrupole quadrupole  127 
Polarizability polarizability  128 
Other results Spin   4  
Number of basis functions   30  
Diagnostics   0  
Conformations   1