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

All data (experiment and calculated) in the CCCBDB for C4H6(CH3)2 (dimethylcyclobutane)

Other names
Cyclobutane, 1,1-dimethyl-; 1,1-dimethylcyclobutane;
INChI
InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3

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   196  
Energy 298.15K   12  
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   195  
HOMO-LUMO Energies HOMO energies   195  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  195  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  186 
Rotational Constants rotational constants  195 
Point Group  196 
Vibrations Vibrational Frequencies vibrations  205 
Vibrational Intensities  205 
Zero-point energies  205 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   128  
Dipole dipole  128 
Quadrupole quadrupole  128 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   2 x