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

All data (experiment and calculated) in the CCCBDB for B2O2 (Diboron dioxide)

Other names
Boron oxide; Diboron dioxide; diboron(III) dioxide;
INChI
InChI=1/B2O2/c3-1-2-4

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   249  
Energy 298.15K   228  
Atomization Enthalpy 298.15K x223x
Atomization Enthalpy 0K x222x
Entropy (298.15K) entropy x193x
Entropy at any temperature   193  
Integrated Heat Capacity integrated heat capacity x193x
Heat Capacity (Cp) Heat capacity x193x
Nuclear Repulsion Energy   205  
HOMO-LUMO Energies HOMO energies   197  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  176  
Internal Coordinates bond lengths bond angles  176 
Products of moments of inertia moments of inertia  193 
Rotational Constants rotational constants  196 
Point Group  199 
Vibrations Vibrational Frequencies vibrations x194x
Vibrational Intensities  189 
Zero-point energies x194x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   162  
Dipole dipole x156x
Quadrupole quadrupole  153 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   4  
Conformations   1