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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;

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   491  
Energy 298.15K   21  
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   487  
HOMO-LUMO Energies HOMO energies   485  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  460  
Internal Coordinates bond lengths bond angles  460 
Products of moments of inertia moments of inertia  467 
Rotational Constants rotational constants  483 
Point Group  488 
Vibrations Vibrational Frequencies vibrations  484 
Vibrational Intensities  455 
Zero-point energies  484 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 255  
Electrostatics Atom charges   273  
Dipole dipole  295 
Quadrupole quadrupole  291 
Polarizability polarizability  298 
Other results Spin   232  
Number of basis functions   34  
Diagnostics   1  
Conformations   1