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

All data (experiment and calculated) in the CCCBDB for Zn(CH3)2 (dimethyl zinc)

INChI
InChI=1/2CH3.Zn/h2*1H3;

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   184  
Energy 298.15K   7  
Atomization Enthalpy 298.15K x6x
Atomization Enthalpy 0K  159 
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   182  
HOMO-LUMO Energies HOMO energies   181  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia  177 
Rotational Constants rotational constants  182 
Point Group  183 
Vibrations Vibrational Frequencies vibrations x181x
Vibrational Intensities  179 
Zero-point energies  181 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   108  
Dipole dipole  107 
Quadrupole quadrupole  105 
Polarizability polarizability  109 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   4 x