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

All data (experiment and calculated) in the CCCBDB for CH2NH (Methanimine)

Other names
Methanimine; Methyleneimine;
INChI
InChI=1/CH3N/c1-2/h2H,1H2

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 x    
Energy 0K   273  
Energy 298.15K   259  
Atomization Enthalpy 298.15K  254 
Atomization Enthalpy 0K x255x
Entropy (298.15K) entropy  222 
Entropy at any temperature   222  
Integrated Heat Capacity integrated heat capacity  221 
Heat Capacity (Cp) Heat capacity  221 
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x186  
Internal Coordinates bond lengths bond angles x186x
Products of moments of inertia moments of inertia x202x
Rotational Constants rotational constants x206x
Point Group  207 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  194 
Zero-point energies x206x
Vibrational scaling factors x
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   172  
Dipole dipole x161x
Quadrupole quadrupole  156 
Polarizability polarizability  147 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   6  
Conformations   1