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

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

INChI
InChI=1S/C2H5O/c1-3-2/h1H2,2H3

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   286  
Energy 298.15K   7  
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   285  
HOMO-LUMO Energies HOMO energies   281  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  281  
Internal Coordinates bond lengths bond angles  281 
Products of moments of inertia moments of inertia  273 
Rotational Constants rotational constants  278 
Point Group  286 
Vibrations Vibrational Frequencies vibrations  278 
Vibrational Intensities  254 
Zero-point energies  278 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   178  
Dipole dipole  178 
Quadrupole quadrupole  178 
Polarizability polarizability  166 
Other results Spin   285  
Number of basis functions   25  
Diagnostics   0  
Conformations   1