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

All data (experiment and calculated) in the CCCBDB for NH (Imidogen)

Other names
Imidogen; Imino;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   578  
Energy 298.15K   306  
Atomization Enthalpy 298.15K x297x
Atomization Enthalpy 0K x499x
Entropy (298.15K) entropy x254x
Entropy at any temperature   254  
Integrated Heat Capacity integrated heat capacity x254x
Heat Capacity (Cp) Heat capacity x254x
Nuclear Repulsion Energy   533  
HOMO-LUMO Energies HOMO energies   525  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x471  
Internal Coordinates bond lengths bond angles x471x
Products of moments of inertia moments of inertia x497x
Rotational Constants rotational constants x508x
Point Group  512 
Vibrations Vibrational Frequencies vibrations x509x
Vibrational Intensities  459 
Zero-point energies  509 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 254  
Electrostatics Atom charges   331  
Dipole dipole  310 
Quadrupole quadrupole  310 
Polarizability polarizability  293 
Other results Spin   188  
Number of basis functions   5  
Diagnostics   6  
Conformations   1