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

All data (experiment and calculated) in the CCCBDB for C6H10 (Bicyclo[3.1.0]hexane)

Other names
Bicyclo[3.1.0]hexane; Norsabinane; Northujane;
INChI
InChI=1/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2

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   237  
Energy 298.15K   7  
Atomization Enthalpy 298.15K x0x
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 x0x
Nuclear Repulsion Energy   235  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x226x
Rotational Constants rotational constants x231x
Point Group  236 
Vibrations Vibrational Frequencies vibrations  18 
Vibrational Intensities  18 
Zero-point energies  18 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole x158x
Quadrupole quadrupole  157 
Polarizability polarizability  156 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   3  
Conformations   1