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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   231  
Energy 298.15K   10  
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   228  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  227  
Internal Coordinates bond lengths bond angles  227 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  227 
Point Group  229 
Vibrations Vibrational Frequencies vibrations  227 
Vibrational Intensities  214 
Zero-point energies  227 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   129  
Dipole dipole  134 
Quadrupole quadrupole  133 
Polarizability polarizability  134 
Other results Spin   222  
Number of basis functions   35  
Diagnostics   0  
Conformations   2 x