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

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

CCSD/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0209 0.0000   0.5730 -0.8449 0.0000
Br2 0.8406 -0.7265 0.0000   -1.1034 0.1294 0.0000
Cl3 -1.7692 0.9543 0.0000   1.9999 0.2033 0.0000
H4 0.3286 1.5385 0.8969   0.5917 -1.4577 0.8969
H5 0.3286 1.5385 -0.8969   0.5917 -1.4577 -0.8969
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9390 1.7705 1.0864 1.0864
Br2 1.9390 3.1042 2.4893 2.4893
Cl3 1.7705 3.1042 2.3551 2.3551
H4 1.0864 2.4893 2.3551 1.7937
H5 1.0864 2.4893 2.3551 1.7937
Maximum atom distance is 3.1042Å 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 113.535
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.352 Br2 C1 H5 107.352
Cl3 C1 H4 108.672 Cl3 C1 H5 108.672
H4 C1 H5 111.286

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