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

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

HSEh1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0220 0.0000   0.5880 -0.8359 0.0000
Br2 0.8382 -0.7244 0.0000   -1.1023 0.1102 0.0000
Cl3 -1.7646 0.9500 0.0000   1.9899 0.2382 0.0000
H4 0.3312 1.5349 0.8993   0.6122 -1.4460 0.8993
H5 0.3312 1.5349 -0.8993   0.6122 -1.4460 -0.8993
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9370 1.7661 1.0870 1.0870
Br2 1.9370 3.0948 2.4839 2.4839
Cl3 1.7661 3.0948 2.3544 2.3544
H4 1.0870 2.4839 2.3544 1.7986
H5 1.0870 2.4839 2.3544 1.7986
Maximum atom distance is 3.0948Å 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 113.305
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.072 Br2 C1 H5 107.072
Cl3 C1 H4 108.884 Cl3 C1 H5 108.884
H4 C1 H5 111.654

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