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

All data (experiment and calculated) in the CCCBDB for BC+ (boron monocarbide cation)

Other names
Boron carbide;
INChI
InChI=1S/CB/c1-2/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   472  
Energy 298.15K   18  
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   467  
HOMO-LUMO Energies HOMO energies   465  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  440  
Internal Coordinates bond lengths bond angles  440 
Products of moments of inertia moments of inertia  452 
Rotational Constants rotational constants  465 
Point Group  468 
Vibrations Vibrational Frequencies vibrations  466 
Vibrational Intensities  437 
Zero-point energies  466 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 246  
Electrostatics Atom charges   277  
Dipole dipole  286 
Quadrupole quadrupole  286 
Polarizability polarizability  286 
Other results Spin   222  
Number of basis functions   31  
Diagnostics   1  
Conformations   1