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All data (experiment and calculated) in the CCCBDB for BH2 (boron dihydride)

1907021335
Other names
BH2 Radical; Borane(2); Boron dihydride;
INChI
InChI=1S/BH2/h1H2

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 x    
Energy 0K   352  
Energy 298.15K   313  
Atomization Enthalpy 298.15K x55x
Atomization Enthalpy 0K x59x
Entropy (298.15K) entropy x23x
Entropy at any temperature   23  
Integrated Heat Capacity integrated heat capacity x23x
Heat Capacity (Cp) Heat capacity x23x
Nuclear Repulsion Energy   312  
HOMO-LUMO Energies HOMO energies   272  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x270  
Internal Coordinates bond lengths bond angles x269x
Products of moments of inertia moments of inertia x280x
Rotational Constants rotational constants x289x
Point Group  317 
Vibrations Vibrational Frequencies vibrations fun. 286x
Vibrational Intensities  453 
Zero-point energies  286 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   191  
Dipole dipole  193 
Quadrupole quadrupole  187 
Polarizability polarizability  213 
Other results Spin   311  
Number of basis functions   119  
Conformations   1