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

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


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   255  
Energy 298.15K   233  
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   248  
HOMO-LUMO Energies HOMO energies   247  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  236  
Internal Coordinates bond lengths bond angles  236 
Products of moments of inertia moments of inertia  239 
Rotational Constants rotational constants  246 
Point Group  249 
Vibrations Vibrational Frequencies vibrations  246 
Vibrational Intensities  242 
Zero-point energies  246 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   159  
Dipole dipole  158 
Quadrupole quadrupole  156 
Polarizability polarizability  149 
Other results Spin   225  
Number of basis functions   4  
Diagnostics   1  
Conformations   1