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

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

QCISD/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0241 0.0000   0.5850 -0.8406 0.0000
Br2 0.8415 -0.7278 0.0000   -1.1064 0.1168 0.0000
Cl3 -1.7710 0.9556 0.0000   1.9994 0.2272 0.0000
H4 0.3277 1.5420 0.8979   0.6118 -1.4529 0.8979
H5 0.3277 1.5420 -0.8979   0.6118 -1.4529 -0.8979
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9436 1.7723 1.0872 1.0872
Br2 1.9436 3.1078 2.4945 2.4945
Cl3 1.7723 3.1078 2.3569 2.3569
H4 1.0872 2.4945 2.3569 1.7959
H5 1.0872 2.4945 2.3569 1.7959
Maximum atom distance is 3.1078Å 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 113.437
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.390 Br2 C1 H5 107.390
Cl3 C1 H4 108.643 Cl3 C1 H5 108.643
H4 C1 H5 111.372

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