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

All data (experiment and calculated) in the CCCBDB for CH3OCH2 (methoxymethyl radical)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   280  
Energy 298.15K   8  
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   279  
HOMO-LUMO Energies HOMO energies   275  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  275  
Internal Coordinates bond lengths bond angles  275 
Products of moments of inertia moments of inertia  266 
Rotational Constants rotational constants  272 
Point Group  280 
Vibrations Vibrational Frequencies vibrations  271 
Vibrational Intensities  247 
Zero-point energies  271 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   168  
Dipole dipole  168 
Quadrupole quadrupole  165 
Polarizability polarizability  156 
Other results Spin   279  
Number of basis functions   26  
Diagnostics   0  
Conformations   1