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

All data (experiment and calculated) in the CCCBDB for C6H8 (Bicyclo[2.2.0]hex-1(4)-ene)

Other names
Bicyclo[2.2.0]hex-1(4)-ene;
INChI
InChI=1/C6H8/c1-2-6-4-3-5(1)6/h1-4H2

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   209  
Energy 298.15K   199  
Atomization Enthalpy 298.15K x186x
Atomization Enthalpy 0K  186 
Entropy (298.15K) entropy  185 
Entropy at any temperature   185  
Integrated Heat Capacity integrated heat capacity  185 
Heat Capacity (Cp) Heat capacity  185 
Nuclear Repulsion Energy   205  
HOMO-LUMO Energies HOMO energies   201  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  190  
Internal Coordinates bond lengths bond angles  190 
Products of moments of inertia moments of inertia  195 
Rotational Constants rotational constants  201 
Point Group  201 
Vibrations Vibrational Frequencies vibrations  199 
Vibrational Intensities  198 
Zero-point energies  199 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   146  
Dipole dipole x146x
Quadrupole quadrupole  143 
Polarizability polarizability  149 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   5  
Conformations   1