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All data (experiment and calculated) in the CCCBDB for N2H2 ((E)-diazene)

1907021335
Other names
(E)-Diazene; E-diazine; t-diazine; diazine; trans-diazine;
INChI
InChI=1S/H2N2/c1-2/h1-2H/b2-1+

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   535  
Energy 298.15K   516  
Atomization Enthalpy 298.15K x35x
Atomization Enthalpy 0K x35x
Entropy (298.15K) entropy x1x
Entropy at any temperature   1  
Integrated Heat Capacity integrated heat capacity x1x
Heat Capacity (Cp) Heat capacity x1x
Nuclear Repulsion Energy   512  
HOMO-LUMO Energies HOMO energies   437  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x494  
Internal Coordinates bond lengths bond angles x493x
Products of moments of inertia moments of inertia x499x
Rotational Constants rotational constants x509x
Point Group  516 
Vibrations Vibrational Frequencies vibrations fun. 501x
Vibrational Intensities  643 
Zero-point energies x501x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   280  
Dipole dipole x320x
Quadrupole quadrupole  273 
Polarizability polarizability  339 
Other results Spin   0  
Number of basis functions   64  
Conformations   1