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

All data (experiment and calculated) in the CCCBDB for BH+ (boron monohydride cation)

INChI
InChI=1S/BH/h1H/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   234  
Energy 298.15K   9  
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   229  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  216  
Internal Coordinates bond lengths bond angles x216x
Products of moments of inertia moments of inertia x223x
Rotational Constants rotational constants x229x
Point Group  230 
Vibrations Vibrational Frequencies vibrations  230 
Vibrational Intensities  208 
Zero-point energies  230 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   121  
Dipole dipole  126 
Quadrupole quadrupole  126 
Polarizability polarizability  127 
Other results Spin   228  
Number of basis functions   32  
Diagnostics   1  
Conformations   1