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

All data (experiment and calculated) in the CCCBDB for BH3- (boron trihydride anion)

INChI
InChI=1S/BH3/h1H3/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   249  
Energy 298.15K   12  
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   246  
HOMO-LUMO Energies HOMO energies   245  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  245  
Internal Coordinates bond lengths bond angles  245 
Products of moments of inertia moments of inertia  236 
Rotational Constants rotational constants  245 
Point Group  247 
Vibrations Vibrational Frequencies vibrations  243 
Vibrational Intensities  230 
Zero-point energies  243 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   129  
Dipole dipole  144 
Quadrupole quadrupole  137 
Polarizability polarizability  144 
Other results Spin   240  
Number of basis functions   85  
Diagnostics   0  
Conformations   2 x