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Experimental data for CFCl2 (dichlorofluoromethyl radical)

22 02 02 11 45
Other names
Fluorodichloromethyl radical; Methyl, dichlorofluoro-;
INChI INChIKey SMILES IUPAC name
InChI=1S/CCl2F/c2-1(3)4 F[C](Cl)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 A' 1143   webbook       CF str
2 A' 747           CCl stretch
5 A" 919           CCl2 a-str

Calculated vibrational frequencies for CFCl2 (dichlorofluoromethyl 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 CFCl2 (dichlorofluoromethyl radical).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of dichlorofluoromethyl radical

Point Group Cs


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)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CFCl2 (dichlorofluoromethyl radical).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
C1 F2
C1 Cl3
C1 Cl4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
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