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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;
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   527  
Energy 298.15K   19  
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   464  
HOMO-LUMO Energies HOMO energies   463  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  437  
Internal Coordinates bond lengths bond angles  437 
Products of moments of inertia moments of inertia  449 
Rotational Constants rotational constants  463 
Point Group  465 
Vibrations Vibrational Frequencies vibrations  464 
Vibrational Intensities  423 
Zero-point energies  464 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 250  
Electrostatics Atom charges   295  
Dipole dipole  305 
Quadrupole quadrupole  305 
Polarizability polarizability  287 
Other results Spin   215  
Number of basis functions   31  
Diagnostics   1  
Conformations   1