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 N2H5+ (protonated hydrazine)

1907021335
INChI
InChI=1S/H4N2/c1-2/h1-2H2/p+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   495  
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   479  
HOMO-LUMO Energies HOMO energies   443  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  494  
Internal Coordinates bond lengths bond angles  494 
Products of moments of inertia moments of inertia  486 
Rotational Constants rotational constants  494 
Point Group  497 
Vibrations Vibrational Frequencies vibrations  486 
Vibrational Intensities  441 
Zero-point energies  486 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   295  
Dipole dipole  406 
Quadrupole quadrupole  334 
Polarizability polarizability  351 
Other results Spin   0  
Number of basis functions   31  
Conformations   1