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

All data (experiment and calculated) in the CCCBDB for C9H8 (sprio[4.4]nona-1,3,6,8-tetraene)

INChI
InChI=1S/C9H8/c1-2-6-9(5-1)7-3-4-8-9/h1-8H

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   276  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   277  
HOMO-LUMO Energies HOMO energies   258  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  258  
Internal Coordinates bond lengths bond angles  258 
Products of moments of inertia moments of inertia  246 
Rotational Constants rotational constants  253 
Point Group  278 
Vibrations Vibrational Frequencies vibrations  252 
Vibrational Intensities  250 
Zero-point energies  252 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   172  
Dipole dipole  3 
Quadrupole quadrupole  201 
Polarizability polarizability  172 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1