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

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


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   274  
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   271  
HOMO-LUMO Energies HOMO energies   23  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  23  
Internal Coordinates bond lengths bond angles  23 
Products of moments of inertia moments of inertia  265 
Rotational Constants rotational constants  271 
Point Group  272 
Vibrations Vibrational Frequencies vibrations  19 
Vibrational Intensities  19 
Zero-point energies  19 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   11  
Electrostatics Atom charges   141  
Dipole dipole  15 
Quadrupole quadrupole  149 
Polarizability polarizability  142 
Other results Spin   256  
Number of basis functions   5  
Diagnostics   0  
Conformations   1