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

All data (experiment and calculated) in the CCCBDB for BN- (boron nitride anion)

INChI
InChI=1S/BN/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   245  
Energy 298.15K   228  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  198 
Entropy (298.15K) entropy  210 
Entropy at any temperature   210  
Integrated Heat Capacity integrated heat capacity  210 
Heat Capacity (Cp) Heat capacity  210 
Nuclear Repulsion Energy   237  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  223  
Internal Coordinates bond lengths bond angles  223 
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  237 
Point Group  238 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  211 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole  128 
Quadrupole quadrupole  128 
Polarizability polarizability  128 
Other results Spin   235  
Number of basis functions   31  
Diagnostics   1  
Conformations   1