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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   205  
Energy 298.15K   10  
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   200  
HOMO-LUMO Energies HOMO energies   200  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  198  
Internal Coordinates bond lengths bond angles  198 
Products of moments of inertia moments of inertia  191 
Rotational Constants rotational constants  198 
Point Group  201 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  208 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   128  
Dipole dipole  128 
Quadrupole quadrupole  128 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   0  
Conformations   1