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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

mPW1PW91/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5188   -1.5188 0.0000 0.0000
Br2 0.0000 0.0000 0.4194   0.4194 0.0000 0.0000
H3 0.0000 1.0334 -1.8557   -1.8557 1.0334 0.0000
H4 0.8949 -0.5167 -1.8557   -1.8557 -0.5167 0.8949
H5 -0.8949 -0.5167 -1.8557   -1.8557 -0.5167 -0.8949
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9382 1.0869 1.0869 1.0869
Br2 1.9382 2.4988 2.4988 2.4988
H3 1.0869 2.4988 1.7899 1.7899
H4 1.0869 2.4988 1.7899 1.7899
H5 1.0869 2.4988 1.7899 1.7899
Maximum atom distance is 2.4988Å between atoms Br2 and H4.
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 108.055 Br2 C1 H4 108.055
Br2 C1 H5 108.055 H3 C1 H4 110.849
H3 C1 H5 110.849 H4 C1 H5 110.849

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