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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-; fluoromethane;
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   259  
Energy 298.15K   10  
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   256  
HOMO-LUMO Energies HOMO energies   255  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  255  
Internal Coordinates bond lengths bond angles  255 
Products of moments of inertia moments of inertia  246 
Rotational Constants rotational constants  253 
Point Group  257 
Vibrations Vibrational Frequencies vibrations x253x
Vibrational Intensities  224 
Zero-point energies  253 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   147  
Dipole dipole  147 
Quadrupole quadrupole  147 
Polarizability polarizability  134 
Other results Spin   254  
Number of basis functions   30  
Diagnostics   0  
Conformations   1