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Geometry for CH2BrCl (Methane, bromochloro-) 1A' CS

1910171554
InChI=1S/CH2BrCl/c2-1-3/h1H2 INChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N

B2PLYP=FULL/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0508 0.0000   -0.5637 0.8868 0.0000
Br2 0.8994 -0.7091 0.0000   1.1394 -0.1159 0.0000
Cl3 -1.8828 0.9030 0.0000   -2.0734 -0.2479 0.0000
H4 0.2641 1.5807 0.9048   -0.6250 1.4757 0.9048
H5 0.2641 1.5807 -0.9048   -0.6250 1.4757 -0.9048
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9764 1.8886 1.0813 1.0813
Br2 1.9764 3.2155 2.5427 2.5427
Cl3 1.8886 3.2155 2.4264 2.4264
H4 1.0813 2.5427 2.4264 1.8097
H5 1.0813 2.5427 2.4264 1.8097
Maximum atom distance is 3.2155Å between atoms Br2 and Cl3.
picture of Methane, bromochloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 112.582
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 108.978 Br2 C1 H5 108.978
Cl3 C1 H4 106.372 Cl3 C1 H5 106.372
H4 C1 H5 113.601

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