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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;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation x    
Energy 0K   294  
Energy 298.15K   260  
Atomization Enthalpy 298.15K  254 
Atomization Enthalpy 0K x255x
Entropy (298.15K) entropy  221 
Entropy at any temperature   221  
Integrated Heat Capacity integrated heat capacity  221 
Heat Capacity (Cp) Heat capacity  221 
Nuclear Repulsion Energy   248  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia x222x
Rotational Constants rotational constants x227x
Point Group  228 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  213 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   182  
Dipole dipole x176x
Quadrupole quadrupole  169 
Polarizability polarizability  157 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1