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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   294  
Energy 298.15K   259  
Atomization Enthalpy 298.15K x253x
Atomization Enthalpy 0K x255x
Entropy (298.15K) entropy x220x
Entropy at any temperature   220  
Integrated Heat Capacity integrated heat capacity x220x
Heat Capacity (Cp) Heat capacity x220x
Nuclear Repulsion Energy   248  
HOMO-LUMO Energies HOMO energies   222  
Barriers to Internal Rotation internal rotation x7x
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x207x
Products of moments of inertia moments of inertia  221 
Rotational Constants rotational constants x226x
Point Group  229 
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   184  
Dipole dipole x176x
Quadrupole quadrupole  168 
Polarizability polarizability  157 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1