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

All data (experiment and calculated) in the CCCBDB for BC- (boron monocarbide anion)

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   546  
Energy 298.15K   22  
Atomization Enthalpy 298.15K  12 
Atomization Enthalpy 0K  412 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   484  
HOMO-LUMO Energies HOMO energies   483  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  457  
Internal Coordinates bond lengths bond angles  457 
Products of moments of inertia moments of inertia  464 
Rotational Constants rotational constants  481 
Point Group  485 
Vibrations Vibrational Frequencies vibrations  482 
Vibrational Intensities  441 
Zero-point energies  482 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 259  
Electrostatics Atom charges   291  
Dipole dipole  314 
Quadrupole quadrupole  310 
Polarizability polarizability  300 
Other results Spin   225  
Number of basis functions   34  
Diagnostics   1  
Conformations   1