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

1907021335
Other names
Bicyclo[3.1.0]hexane; Norsabinane; Northujane;
INChI
InChI=1S/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   260  
Energy 298.15K   57  
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   255  
HOMO-LUMO Energies HOMO energies   257  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  256  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x250x
Rotational Constants rotational constants x256x
Point Group  259 
Vibrations Vibrational Frequencies vibrations  51 
Vibrational Intensities  52 
Zero-point energies  51 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole x186x
Quadrupole quadrupole  182 
Polarizability polarizability  209 
Other results Spin   0  
Number of basis functions   26  
Conformations   1