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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   284  
Energy 298.15K   268  
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   238  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  196  
Internal Coordinates bond lengths bond angles  196 
Products of moments of inertia moments of inertia x213x
Rotational Constants rotational constants x217x
Point Group  218 
Vibrations Vibrational Frequencies vibrations x216x
Vibrational Intensities  206 
Zero-point energies  216 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   184  
Dipole dipole  173 
Quadrupole quadrupole  169 
Polarizability polarizability  146 
Other results Spin   154  
Number of basis functions   32  
Diagnostics   6  
Conformations   1