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

All data (experiment and calculated) in the CCCBDB for NH2+ (Amino cation)

INChI
InChI=1S/H2N/h1H2/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   491  
Energy 298.15K   19  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   487  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  457  
Internal Coordinates bond lengths bond angles  457 
Products of moments of inertia moments of inertia  472 
Rotational Constants rotational constants  485 
Point Group  488 
Vibrations Vibrational Frequencies vibrations x486x
Vibrational Intensities  440 
Zero-point energies  486 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 246  
Electrostatics Atom charges   261  
Dipole dipole  264 
Quadrupole quadrupole  264 
Polarizability polarizability  263 
Other results Spin   3  
Number of basis functions   32  
Diagnostics   1  
Conformations   1