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

All data (experiment and calculated) in the CCCBDB for HNB (hydrogen nitrogen boron)

INChI
InChI=1S/BHN/c1-2/h2H

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   231  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  7 
Atomization Enthalpy 0K  192 
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   225  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  225  
Internal Coordinates bond lengths bond angles  225 
Products of moments of inertia moments of inertia  219 
Rotational Constants rotational constants  225 
Point Group  226 
Vibrations Vibrational Frequencies vibrations x238x
Vibrational Intensities  214 
Zero-point energies x238x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole  137 
Quadrupole quadrupole  137 
Polarizability polarizability  124 
Other results Spin   224  
Number of basis functions   29  
Diagnostics   0  
Conformations   1