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

All data (experiment and calculated) in the CCCBDB for NHCHNH2 (aminomethanimine)

INChI
InChI=1/CH4N2/c2-1-3/h1H,(H3,2,3)

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   258  
Energy 298.15K   211  
Atomization Enthalpy 298.15K  190 
Atomization Enthalpy 0K  216 
Entropy (298.15K) entropy  176 
Entropy at any temperature   176  
Integrated Heat Capacity integrated heat capacity  176 
Heat Capacity (Cp) Heat capacity  176 
Nuclear Repulsion Energy   233  
HOMO-LUMO Energies HOMO energies   218  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  210  
Internal Coordinates bond lengths bond angles  210 
Products of moments of inertia moments of inertia  230 
Rotational Constants rotational constants  233 
Point Group  235 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  197 
Zero-point energies  198 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   227  
Dipole dipole  139 
Quadrupole quadrupole  136 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   5  
Conformations   1