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Geometry for CH2Br (bromomethyl radical) 2A' CS

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

B3LYP/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.5401 0.0000   1.5401 0.0000 0.0001
Br2 0.0000 -0.3801 0.0000   -0.3801 0.0000 0.0000
H3 -0.0004 2.0320 0.9643   2.0320 0.9643 -0.0003
H4 -0.0004 2.0320 -0.9643   2.0320 -0.9643 -0.0003
Atom - Atom Distances (Å)
  C1 Br2 H3 H4
C1 1.9202 1.0825 1.0825
Br2 1.9202 2.5977 2.5977
H3 1.0825 2.5977 1.9286
H4 1.0825 2.5977 1.9286
Maximum atom distance is 2.5977Å 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 117.026 Br2 C1 H4 117.026
H3 C1 H4 125.947

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