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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/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0274 0.0000   0.5965 -0.8364 0.0000
Br2 0.8453 -0.7294 0.0000   -1.1117 0.1031 0.0000
Cl3 -1.7789 0.9576 0.0000   2.0043 0.2533 0.0000
H4 0.3287 1.5437 0.9058   0.6287 -1.4477 0.9058
H5 0.3287 1.5437 -0.9058   0.6287 -1.4477 -0.9058
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9496 1.7803 1.0932 1.0932
Br2 1.9496 3.1196 2.5009 2.5009
Cl3 1.7803 3.1196 2.3677 2.3677
H4 1.0932 2.5009 2.3677 1.8117
H5 1.0932 2.5009 2.3677 1.8117
Maximum atom distance is 3.1196Å 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 113.447
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.170 Br2 C1 H5 107.170
Cl3 C1 H4 108.601 Cl3 C1 H5 108.601
H4 C1 H5 111.906

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