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

All data (experiment and calculated) in the CCCBDB for C2H6N2O2 ((E)-Azodioxymethane)

Other names
(E)-(CH3NO)2; Diazene, dimethyl-, 1,2-dioxide, (E)-; (E)-1,2-dimethyldiazene 1,2-dioxide;
INChI
InChI=1/C2H6N2O2/c1-3(5)4(2)6/h1-2H3/b4-3+

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   210  
Energy 298.15K   174  
Atomization Enthalpy 298.15K x170x
Atomization Enthalpy 0K  170 
Entropy (298.15K) entropy  162 
Entropy at any temperature   162  
Integrated Heat Capacity integrated heat capacity  162 
Heat Capacity (Cp) Heat capacity  162 
Nuclear Repulsion Energy   198  
HOMO-LUMO Energies HOMO energies   190  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  179  
Internal Coordinates bond lengths bond angles  179 
Products of moments of inertia moments of inertia  189 
Rotational Constants rotational constants  194 
Point Group  195 
Vibrations Vibrational Frequencies vibrations  191 
Vibrational Intensities  190 
Zero-point energies  191 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   161  
Dipole dipole  162 
Quadrupole quadrupole  159 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   2 x