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

All data (experiment and calculated) in the CCCBDB for CNH2+ (CNH2+)

INChI
InChI=1S/CH2N/c1-2/h2H2/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   236  
Energy 298.15K   7  
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   232  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  232  
Internal Coordinates bond lengths bond angles  232 
Products of moments of inertia moments of inertia  226 
Rotational Constants rotational constants  231 
Point Group  233 
Vibrations Vibrational Frequencies vibrations  231 
Vibrational Intensities  211 
Zero-point energies  231 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   125  
Dipole dipole  128 
Quadrupole quadrupole  127 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1