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Geometry for CH3Br (methyl bromide) 1A1 C3V

1910171554
InChI=1S/CH3Br/c1-2/h1H3 INChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N

CCD/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5130   -1.5130 0.0000 0.0000
Br2 0.0000 0.0000 0.4177   0.4177 0.0000 0.0000
H3 0.0000 1.0308 -1.8476   -1.8476 1.0158 -0.1750
H4 0.8927 -0.5154 -1.8476   -1.8476 -0.3563 0.9672
H5 -0.8927 -0.5154 -1.8476   -1.8476 -0.6595 -0.7922
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9308 1.0837 1.0837 1.0837
Br2 1.9308 2.4888 2.4888 2.4888
H3 1.0837 2.4888 1.7853 1.7853
H4 1.0837 2.4888 1.7853 1.7853
H5 1.0837 2.4888 1.7853 1.7853
Maximum atom distance is 2.4888Å between atoms Br2 and H3.
picture of methyl bromide
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 107.982 Br2 C1 H4 107.982
Br2 C1 H5 107.982 H3 C1 H4 110.918
H3 C1 H5 110.918 H4 C1 H5 110.918

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