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

All data (experiment and calculated) in the CCCBDB for BO2+ (Boron dioxide cation)

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   256  
Energy 298.15K   3  
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   253  
HOMO-LUMO Energies HOMO energies   5  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  5  
Internal Coordinates bond lengths bond angles  5 
Products of moments of inertia moments of inertia  248 
Rotational Constants rotational constants  253 
Point Group  254 
Vibrations Vibrational Frequencies vibrations  5 
Vibrational Intensities  5 
Zero-point energies  5 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   3  
Electrostatics Atom charges   141  
Dipole dipole  3 
Quadrupole quadrupole  143 
Polarizability polarizability  130 
Other results Spin   246  
Number of basis functions   30  
Diagnostics   0  
Conformations   1