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

All data (experiment and calculated) in the CCCBDB for BH4- (borohydride anion)

INChI
InChI=1S/BH4/h1H4/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   213  
Energy 298.15K   189  
Atomization Enthalpy 298.15K  7 
Atomization Enthalpy 0K  174 
Entropy (298.15K) entropy  172 
Entropy at any temperature   172  
Integrated Heat Capacity integrated heat capacity  172 
Heat Capacity (Cp) Heat capacity  172 
Nuclear Repulsion Energy   205  
HOMO-LUMO Energies HOMO energies   204  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  195  
Internal Coordinates bond lengths bond angles  195 
Products of moments of inertia moments of inertia  198 
Rotational Constants rotational constants  204 
Point Group  206 
Vibrations Vibrational Frequencies vibrations  205 
Vibrational Intensities  197 
Zero-point energies  205 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   111  
Dipole dipole  123 
Quadrupole quadrupole  121 
Polarizability polarizability  125 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1