return to home page

I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for NNH (Dinitrogen monohydride)

INChI
InChI=1/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   245  
Energy 298.15K   232  
Atomization Enthalpy 298.15K  203 
Atomization Enthalpy 0K  201 
Entropy (298.15K) entropy  212 
Entropy at any temperature   212  
Integrated Heat Capacity integrated heat capacity  212 
Heat Capacity (Cp) Heat capacity  212 
Nuclear Repulsion Energy   238  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  226  
Internal Coordinates bond lengths bond angles  226 
Products of moments of inertia moments of inertia  230 
Rotational Constants rotational constants  236 
Point Group  239 
Vibrations Vibrational Frequencies vibrations  237 
Vibrational Intensities  233 
Zero-point energies  237 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   153  
Dipole dipole  153 
Quadrupole quadrupole  153 
Polarizability polarizability  143 
Other results Spin   215  
Number of basis functions   32  
Diagnostics   1  
Conformations   1