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

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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0205 0.0000   0.5823 -0.8380 0.0000
Br2 0.8359 -0.7194 0.0000   -1.0969 0.1137 0.0000
Cl3 -1.7586 0.9410 0.0000   1.9811 0.2309 0.0000
H4 0.3205 1.5294 0.8870   0.6095 -1.4388 0.8870
H5 0.3205 1.5294 -0.8870   0.6095 -1.4388 -0.8870
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9302 1.7604 1.0717 1.0717
Br2 1.9302 3.0803 2.4717 2.4717
Cl3 1.7604 3.0803 2.3358 2.3358
H4 1.0717 2.4717 2.3358 1.7741
H5 1.0717 2.4717 2.3358 1.7741
Maximum atom distance is 3.0803Å 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 113.074
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.368 Br2 C1 H5 107.368
Cl3 C1 H4 108.676 Cl3 C1 H5 108.676
H4 C1 H5 111.721

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