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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   207  
Energy 298.15K   182  
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   189  
HOMO-LUMO Energies HOMO energies   67  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x162  
Internal Coordinates bond lengths bond angles x162x
Products of moments of inertia moments of inertia x180x
Rotational Constants rotational constants x185x
Point Group  187 
Vibrations Vibrational Frequencies vibrations x183x
Vibrational Intensities  182 
Zero-point energies  183 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole  159 
Quadrupole quadrupole  152 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1