return to home page

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

All data (experiment and calculated) in the CCCBDB for N2H4 (Hydrazine)

Other names
Diamide; Diamide hydrate; Diamine; Hydrazine; Hydrazine, anhydrous; Hydrazyna; Levoxine; Rcra waste number U133; UN 2030; UN 2029;
INChI
InChI=1/H4N2/c1-2/h1-2H2

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   273  
Energy 298.15K   258  
Atomization Enthalpy 298.15K x253x
Atomization Enthalpy 0K x255x
Entropy (298.15K) entropy x221x
Entropy at any temperature   221  
Integrated Heat Capacity integrated heat capacity x220x
Heat Capacity (Cp) Heat capacity x220x
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   200  
Barriers to Internal Rotation internal rotation x7x
Geometries Cartesians x187  
Internal Coordinates bond lengths bond angles x187x
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants x205x
Point Group  208 
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   174  
Dipole dipole x161x
Quadrupole quadrupole  155 
Polarizability polarizability  147 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   6  
Conformations   1