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

All data (experiment and calculated) in the CCCBDB for BO (boron monoxide)

Other names
Boron monoxide; Boron oxide;
INChI
InChI=1/BO/c1-2

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   312  
Energy 298.15K   283  
Atomization Enthalpy 298.15K x268x
Atomization Enthalpy 0K x278x
Entropy (298.15K) entropy x243x
Entropy at any temperature   243  
Integrated Heat Capacity integrated heat capacity x243x
Heat Capacity (Cp) Heat capacity x243x
Nuclear Repulsion Energy   262  
HOMO-LUMO Energies HOMO energies   251  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x219  
Internal Coordinates bond lengths bond angles x219x
Products of moments of inertia moments of inertia x237x
Rotational Constants rotational constants x241x
Point Group  244 
Vibrations Vibrational Frequencies vibrations x241x
Vibrational Intensities  223 
Zero-point energies x241x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   193  
Dipole dipole  180 
Quadrupole quadrupole  176 
Polarizability polarizability  152 
Other results Spin   194  
Number of basis functions   5  
Diagnostics   6  
Conformations   1