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Geometry for COFCl (Carbonic chloride fluoride) 1A' CS

1910171554
InChI=1S/CClFO/c2-1(3)4 INChIKey=OXVVNXMNLYYMOL-UHFFFAOYSA-N

B1B95/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5038 0.0000   0.4858 0.1334 0.0000
O2 -0.7963 1.3597 0.0000   1.5220 -0.4079 0.0000
Cl3 -0.3153 -1.1913 0.0000   -1.0653 -0.6195 0.0000
F4 1.3035 0.7057 0.0000   0.3354 1.4438 0.0000
Atom - Atom Distances (Å)
  C1 O2 Cl3 F4
C1 1.1691 1.7242 1.3190
O2 1.1691 2.5960 2.1993
Cl3 1.7242 2.5960 2.4938
F4 1.3190 2.1993 2.4938
Maximum atom distance is 2.5960Å between atoms O2 and Cl3.
picture of Carbonic chloride fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 Cl3 126.528 O2 C1 F4 124.129
Cl3 C1 F4 109.343

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.