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

All data (experiment and calculated) in the CCCBDB for NH3+ (ammonia cation)

INChI
InChI=1S/H3N/h1H3/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   199  
Energy 298.15K   189  
Atomization Enthalpy 298.15K  147 
Atomization Enthalpy 0K  145 
Entropy (298.15K) entropy  172 
Entropy at any temperature   172  
Integrated Heat Capacity integrated heat capacity  172 
Heat Capacity (Cp) Heat capacity  172 
Nuclear Repulsion Energy   192  
HOMO-LUMO Energies HOMO energies   190  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  181  
Internal Coordinates bond lengths bond angles  181 
Products of moments of inertia moments of inertia  185 
Rotational Constants rotational constants  190 
Point Group  193 
Vibrations Vibrational Frequencies vibrations x191x
Vibrational Intensities  186 
Zero-point energies x191x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   113  
Dipole dipole  116 
Quadrupole quadrupole  115 
Polarizability polarizability  115 
Other results Spin   171  
Number of basis functions   34  
Diagnostics   0  
Conformations   1