return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for NNH (Dinitrogen monohydride)

1907021335
INChI
InChI=1S/HN2/c1-2/h1H

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   89  
Energy 298.15K   78  
Atomization Enthalpy 298.15K  23 
Atomization Enthalpy 0K  23 
Entropy (298.15K) entropy  7 
Entropy at any temperature   7  
Integrated Heat Capacity integrated heat capacity  7 
Heat Capacity (Cp) Heat capacity  7 
Nuclear Repulsion Energy   74  
HOMO-LUMO Energies HOMO energies   77  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  67  
Internal Coordinates bond lengths bond angles  67 
Products of moments of inertia moments of inertia  74 
Rotational Constants rotational constants  77 
Point Group  78 
Vibrations Vibrational Frequencies vibrations  75 
Vibrational Intensities  276 
Zero-point energies  75 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   58  
Dipole dipole  65 
Quadrupole quadrupole  60 
Polarizability polarizability  216 
Other results Spin   66  
Number of basis functions   58  
Conformations   1