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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   248  
Energy 298.15K   226  
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   241  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  226  
Internal Coordinates bond lengths bond angles  226 
Products of moments of inertia moments of inertia  233 
Rotational Constants rotational constants  241 
Point Group  242 
Vibrations Vibrational Frequencies vibrations  241 
Vibrational Intensities  221 
Zero-point energies  241 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   125  
Dipole dipole  137 
Quadrupole quadrupole  135 
Polarizability polarizability  139 
Other results Spin   18  
Number of basis functions   34  
Diagnostics   1  
Conformations   1