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All data (experiment and calculated) in the CCCBDB for C6H12 ((1R,2R)-1,2-dimethylcyclobutane)

1907021335
Other names
trans-1,2-dimethylcyclobutane; (1R,2R)-1,2-dimethylcyclobutane;
INChI
InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1

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   57  
Energy 298.15K   50  
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   55  
HOMO-LUMO Energies HOMO energies   58  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  58  
Internal Coordinates bond lengths bond angles  57 
Products of moments of inertia moments of inertia  55 
Rotational Constants rotational constants  58 
Point Group  59 
Vibrations Vibrational Frequencies vibrations  56 
Vibrational Intensities  56 
Zero-point energies  56 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   45  
Dipole dipole  48 
Quadrupole quadrupole  43 
Polarizability polarizability  50 
Other results Spin   0  
Number of basis functions   0  
Conformations   1