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

All data (experiment and calculated) in the CCCBDB for CH2F (fluoromethyl radical)

Other names
Methyl, fluoro-; Methyl radical, fluoro-;
INChI
1S/CH2F/c1-2/h1H2

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   268  
Energy 298.15K   11  
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   265  
HOMO-LUMO Energies HOMO energies   264  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  264  
Internal Coordinates bond lengths bond angles  264 
Products of moments of inertia moments of inertia  254 
Rotational Constants rotational constants  262 
Point Group  266 
Vibrations Vibrational Frequencies vibrations x261x
Vibrational Intensities  232 
Zero-point energies  261 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   152  
Dipole dipole  151 
Quadrupole quadrupole  149 
Polarizability polarizability  139 
Other results Spin   263  
Number of basis functions   31  
Diagnostics   0  
Conformations   1