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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

PBEPBE/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5363   -1.5363 0.0000 -0.0000
Br2 0.0000 0.0000 0.4238   0.4238 0.0000 0.0000
H3 0.0000 1.0415 -1.8716   -1.8716 -1.0415 -0.0000
H4 0.9020 -0.5208 -1.8716   -1.8716 0.5208 -0.9020
H5 -0.9020 -0.5208 -1.8716   -1.8716 0.5208 0.9020
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9601 1.0942 1.0942 1.0942
Br2 1.9601 2.5207 2.5207 2.5207
H3 1.0942 2.5207 1.8040 1.8040
H4 1.0942 2.5207 1.8040 1.8040
H5 1.0942 2.5207 1.8040 1.8040
Maximum atom distance is 2.5207Å 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 107.846 Br2 C1 H4 107.846
Br2 C1 H5 107.846 H3 C1 H4 111.046
H3 C1 H5 111.046 H4 C1 H5 111.046

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