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Geometry for (dibromochlorofluoromethane) 1A' CS

1910171554
InChI=1S/CBr2ClF/c2-1(3,4)5 INChIKey=HEDKQVNHJZBFQR-UHFFFAOYSA-N

QCISD/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1162 0.5025 0.0000   0.0000 0.3707 0.3586
F2 -0.4413 1.7665 0.0000   0.0000 0.5897 1.7226
Cl3 2.0097 0.7427 0.0000   0.0000 2.0906 -0.4690
Br4 -0.4413 -0.4506 1.6646   1.6646 -0.6153 -0.1383
Br5 -0.4413 -0.4506 -1.6646   -1.6646 -0.6153 -0.1383
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3814 1.9087 1.9976 1.9976
F2 1.3814 2.6563 2.7724 2.7724
Cl3 1.9087 2.6563 3.1941 3.1941
Br4 1.9976 2.7724 3.1941 3.3293
Br5 1.9976 2.7724 3.1941 3.3293
Maximum atom distance is 3.3293Å between atoms Br4 and Br5.
picture of dibromochlorofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Cl3 106.573 F2 C1 Br4 108.899
F2 C1 Br5 108.899 Cl3 C1 Br4 109.690
Cl3 C1 Br5 109.690 Br4 C1 Br5 112.885

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