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

All data (experiment and calculated) in the CCCBDB for C4H4N2 (Pyridazine)

Other names
1,2-Diazabenzene; 1,2-Diazine; Orthodiazine; Pyridazine;
INChI
InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4H

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   192  
Energy 298.15K   181  
Atomization Enthalpy 298.15K x176x
Atomization Enthalpy 0K  176 
Entropy (298.15K) entropy  166 
Entropy at any temperature   166  
Integrated Heat Capacity integrated heat capacity  166 
Heat Capacity (Cp) Heat capacity  166 
Nuclear Repulsion Energy   174  
HOMO-LUMO Energies HOMO energies   57  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x148  
Internal Coordinates bond lengths bond angles x148x
Products of moments of inertia moments of inertia x168x
Rotational Constants rotational constants x172x
Point Group  172 
Vibrations Vibrational Frequencies vibrations x170x
Vibrational Intensities  169 
Zero-point energies  170 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole  149 
Quadrupole quadrupole  144 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   22  
Diagnostics   4  
Conformations   1