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

All data (experiment and calculated) in the CCCBDB for CH2OH (Hydroxymethyl radical)

Other names
Hydroxymethyl; Hydroxymethyl radical; Methyl radical, hydroxy-; Methyl, hydroxy-;
INChI
InChI=1/CH3O/c1-2/h2H,1H2

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   301  
Energy 298.15K   269  
Atomization Enthalpy 298.15K x261x
Atomization Enthalpy 0K x264x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   255  
HOMO-LUMO Energies HOMO energies   245  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles  212 
Products of moments of inertia moments of inertia x227x
Rotational Constants rotational constants x232x
Point Group  235 
Vibrations Vibrational Frequencies vibrations x230x
Vibrational Intensities  220 
Zero-point energies  230 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   194  
Dipole dipole  184 
Quadrupole quadrupole  178 
Polarizability polarizability  156 
Other results Spin   173  
Number of basis functions   7  
Diagnostics   6  
Conformations   1