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Geometry for CH2Br (bromomethyl radical) 2A' CS

1910171554
InChI=1S/CH2Br/c1-2/h1H2 INChIKey=AOJDZKCUAATBGE-UHFFFAOYSA-N

HF/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0083 1.5037 0.0000   1.5033 0.0000 -0.0330
Br2 -0.0083 -0.3711 0.0000   -0.3712 0.0000 -0.0022
H3 0.1709 1.9835 0.9475   1.9860 0.9475 0.1382
H4 0.1709 1.9835 -0.9475   1.9860 -0.9475 0.1382
Atom - Atom Distances (Å)
  C1 Br2 H3 H4
C1 1.8748 1.0771 1.0771
Br2 1.8748 2.5444 2.5444
H3 1.0771 2.5444 1.8951
H4 1.0771 2.5444 1.8951
Maximum atom distance is 2.5444Å between atoms Br2 and H3.
picture of bromomethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H3 116.453 Br2 C1 H4 116.453
H3 C1 H4 123.214

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