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

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

B97D3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5191 0.0000   0.5012 0.1351 0.0000
O2 -0.8064 1.3796 0.0000   1.5419 -0.4196 0.0000
Cl3 -0.3224 -1.2143 0.0000   -1.0885 -0.6273 0.0000
F4 1.3257 0.7212 0.0000   0.3514 1.4678 0.0000
Atom - Atom Distances (Å)
  C1 O2 Cl3 F4
C1 1.1793 1.7631 1.3411
O2 1.1793 2.6387 2.2315
Cl3 1.7631 2.6387 2.5421
F4 1.3411 2.2315 2.5421
Maximum atom distance is 2.6387Å 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 126.323 O2 C1 F4 124.474
Cl3 C1 F4 109.204

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