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Experimental data for CH2Cl (chloromethyl radical)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/CH2Cl/c1-2/h1H2 WBLIXGSTEMXDSM-UHFFFAOYSA-N [CH2]Cl
State Conformation
2A' CS
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 3055   webbook      
2 A1 1391   webbook      
3 A1 827   webbook      
4 B1 402   webbook      

Calculated vibrational frequencies for CH2Cl (chloromethyl radical).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CH2Cl (chloromethyl radical).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of chloromethyl radical

Point Group C2v


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)
C1      

Atom - Atom Distances bond lengths
Distances in Å
  C1
C1  

Calculated geometries for CH2Cl (chloromethyl radical).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Cl 1
H-C 2

Connectivity
Atom 1 Atom 2
C1 Br2
C1 H3
C1 H4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2A'

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
8.750 0.010 8.870 0.010 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.740 0.160 webbook
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