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

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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0515 0.0000   -0.5935 0.8679 0.0000
Br2 0.8716 -0.7315 0.0000   1.1324 -0.1118 0.0000
Cl3 -1.8296 0.9510 0.0000   -2.0470 -0.2478 0.0000
H4 0.2976 1.5631 0.8909   -0.6367 1.4582 0.8909
H5 0.2976 1.5631 -0.8909   -0.6367 1.4582 -0.8909
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9846 1.8323 1.0696 1.0696
Br2 1.9846 3.1824 2.5275 2.5275
Cl3 1.8323 3.1824 2.3860 2.3860
H4 1.0696 2.5275 2.3860 1.7818
H5 1.0696 2.5275 2.3860 1.7818
Maximum atom distance is 3.1824Å 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 112.911
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.911 Br2 C1 H5 107.911
Cl3 C1 H4 107.698 Cl3 C1 H5 107.698
H4 C1 H5 112.805

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