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 NH2NN+ (hydrazoic acid, protonated)

1907021335
Other names
Diazonium, amino-; Aminodiazonium;
INChI
InChI=1S/H2N3/c1-3-2/h1H2/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   590  
Energy 298.15K   10  
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   591  
HOMO-LUMO Energies HOMO energies   541  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  591  
Internal Coordinates bond lengths bond angles  12 
Products of moments of inertia moments of inertia  583 
Rotational Constants rotational constants  591 
Point Group  592 
Vibrations Vibrational Frequencies vibrations fun. 585x
Vibrational Intensities  537 
Zero-point energies x585x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   417  
Electronic States Electronic states   0  
Electrostatics Atom charges   342  
Dipole dipole  487 
Quadrupole quadrupole  396 
Polarizability polarizability  407 
Other results Spin   0  
Number of basis functions   35  
Conformations   1