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Geometry for CH2Br (bromomethyl radical) 2A' CS

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

BLYP/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0064 1.5112 0.0000   0.0000 -0.0064 1.5112
Br2 -0.0064 -0.3736 0.0000   0.0000 -0.0064 -0.3736
H3 0.1309 2.0051 0.9690   0.9690 0.1310 2.0051
H4 0.1309 2.0051 -0.9690   -0.9690 0.1307 2.0051
Atom - Atom Distances (Å)
  C1 Br2 H3 H4
C1 1.8848 1.0962 1.0962
Br2 1.8848 2.5722 2.5722
H3 1.0962 2.5722 1.9380
H4 1.0962 2.5722 1.9380
Maximum atom distance is 2.5722Å 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 116.779 Br2 C1 H4 116.779
H3 C1 H4 124.239

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