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

All data (experiment and calculated) in the CCCBDB for CH3- (methyl anion)

INChI
InChI=1S/CH3/h1H3/q-1

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   238  
Energy 298.15K   225  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  199 
Entropy (298.15K) entropy  204 
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity  204 
Heat Capacity (Cp) Heat capacity  204 
Nuclear Repulsion Energy   231  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  216  
Internal Coordinates bond lengths bond angles  216 
Products of moments of inertia moments of inertia  224 
Rotational Constants rotational constants  231 
Point Group  232 
Vibrations Vibrational Frequencies vibrations  232 
Vibrational Intensities  212 
Zero-point energies  232 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole  132 
Quadrupole quadrupole  132 
Polarizability polarizability  133 
Other results Spin   19  
Number of basis functions   32  
Diagnostics   1  
Conformations   1