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

All data (experiment and calculated) in the CCCBDB for CH3O- (methoxy anion)

INChI
InChI=1S/CH3O/c1-2/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   192  
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   190  
HOMO-LUMO Energies HOMO energies   190  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  190  
Internal Coordinates bond lengths bond angles  189 
Products of moments of inertia moments of inertia  181 
Rotational Constants rotational constants  189 
Point Group  191 
Vibrations Vibrational Frequencies vibrations  188 
Vibrational Intensities  176 
Zero-point energies  188 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   89  
Dipole dipole  97 
Quadrupole quadrupole  94 
Polarizability polarizability  97 
Other results Spin   2  
Number of basis functions   27  
Diagnostics   0  
Conformations   1