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

All data (experiment and calculated) in the CCCBDB for HBO (Boron hydride oxide)

Other names
Boron hydride oxide; oxoborane;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   279  
Energy 298.15K   259  
Atomization Enthalpy 298.15K x253x
Atomization Enthalpy 0K x254x
Entropy (298.15K) entropy x219x
Entropy at any temperature   219  
Integrated Heat Capacity integrated heat capacity x219x
Heat Capacity (Cp) Heat capacity x219x
Nuclear Repulsion Energy   234  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x197  
Internal Coordinates bond lengths bond angles x197x
Products of moments of inertia moments of inertia x206x
Rotational Constants rotational constants x209x
Point Group  212 
Vibrations Vibrational Frequencies vibrations x213x
Vibrational Intensities  202 
Zero-point energies x213x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  163 
Quadrupole quadrupole  154 
Polarizability polarizability  149 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   6  
Conformations   1