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

All data (experiment and calculated) in the CCCBDB for CH3Li (methyl lithium)

INChI
InChI=1S/CH3.Li/h1H3;

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   214  
Energy 298.15K   11  
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   209  
HOMO-LUMO Energies HOMO energies   209  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  207  
Internal Coordinates bond lengths bond angles  207 
Products of moments of inertia moments of inertia  199 
Rotational Constants rotational constants  207 
Point Group  210 
Vibrations Vibrational Frequencies vibrations x216x
Vibrational Intensities  216 
Zero-point energies x216x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   133  
Dipole dipole  132 
Quadrupole quadrupole  130 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   1