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All data (experiment and calculated) in the CCCBDB for NH2BHNH2 (diaminoborane)

1907021335
Other names
Borane, diamino-;
INChI
InChI=1S/BH5N2/c2-1-3/h1H,2-3H2

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   7  
Energy 298.15K   0  
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   7  
HOMO-LUMO Energies HOMO energies   7  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x7  
Internal Coordinates bond lengths bond angles x7x
Products of moments of inertia moments of inertia x7x
Rotational Constants rotational constants x7x
Point Group  8 
Vibrations Vibrational Frequencies vibrations fun. 7x
Vibrational Intensities  7 
Zero-point energies  7 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   3  
Electronic States Electronic states   0  
Electrostatics Atom charges   6  
Dipole dipole x7x
Quadrupole quadrupole  7 
Polarizability polarizability  7 
Other results Spin   0  
Number of basis functions   1  
Conformations   1