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

1907021335
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   270  
Energy 298.15K   250  
Atomization Enthalpy 298.15K  7 
Atomization Enthalpy 0K  188 
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   263  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  262  
Internal Coordinates bond lengths bond angles  264 
Products of moments of inertia moments of inertia  251 
Rotational Constants rotational constants  259 
Point Group  267 
Vibrations Vibrational Frequencies vibrations fun. 272x
Vibrational Intensities  252 
Zero-point energies x272x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   170  
Dipole dipole  173 
Quadrupole quadrupole  168 
Polarizability polarizability  159 
Other results Spin   264  
Number of basis functions   5  
Conformations   1