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

All data (experiment and calculated) in the CCCBDB for CH2NN (diazomethane)

INChI
InChI=1/CH2N2/c1-3-2/h1H2

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   261  
Energy 298.15K   222  
Atomization Enthalpy 298.15K x197x
Atomization Enthalpy 0K x199x
Entropy (298.15K) entropy  204 
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity  204 
Heat Capacity (Cp) Heat capacity  204 
Nuclear Repulsion Energy   256  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x241  
Internal Coordinates bond lengths bond angles x240x
Products of moments of inertia moments of inertia x248x
Rotational Constants rotational constants x256x
Point Group  257 
Vibrations Vibrational Frequencies vibrations x252x
Vibrational Intensities x238x
Zero-point energies x252x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   144  
Dipole dipole x150x
Quadrupole quadrupole  148 
Polarizability polarizability  146 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1