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

All data (experiment and calculated) in the CCCBDB for NH+ (imidogen cation)

INChI
InChI=1S/HN/h1H/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   255  
Energy 298.15K   239  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  221 
Entropy at any temperature   221  
Integrated Heat Capacity integrated heat capacity  221 
Heat Capacity (Cp) Heat capacity  221 
Nuclear Repulsion Energy   248  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  234  
Internal Coordinates bond lengths bond angles x234x
Products of moments of inertia moments of inertia x241x
Rotational Constants rotational constants x248x
Point Group  249 
Vibrations Vibrational Frequencies vibrations x249x
Vibrational Intensities  227 
Zero-point energies x249x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   137  
Dipole dipole  142 
Quadrupole quadrupole  142 
Polarizability polarizability  142 
Other results Spin   246  
Number of basis functions   33  
Diagnostics   1  
Conformations   1