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

1907021335
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   371  
Energy 298.15K   347  
Atomization Enthalpy 298.15K  8 
Atomization Enthalpy 0K  204 
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   355  
HOMO-LUMO Energies HOMO energies   360  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  351  
Internal Coordinates bond lengths bond angles  332 
Products of moments of inertia moments of inertia  344 
Rotational Constants rotational constants  356 
Point Group  363 
Vibrations Vibrational Frequencies vibrations  357 
Vibrational Intensities  515 
Zero-point energies  357 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   10  
Electronic States Electronic states x 292  
Electrostatics Atom charges   199  
Dipole dipole  242 
Quadrupole quadrupole  233 
Polarizability polarizability  381 
Other results Spin   70  
Number of basis functions   99  
Conformations   1