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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

MP2=FULL/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5165   -1.5165 0.0000 0.0000
Br2 0.0000 0.0000 0.4195   0.4195 0.0000 0.0000
H3 0.0000 1.0409 -1.8612   -1.8612 1.0409 0.0000
H4 0.9015 -0.5205 -1.8612   -1.8612 -0.5205 0.9015
H5 -0.9015 -0.5205 -1.8612   -1.8612 -0.5205 -0.9015
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9360 1.0965 1.0965 1.0965
Br2 1.9360 2.5071 2.5071 2.5071
H3 1.0965 2.5071 1.8030 1.8030
H4 1.0965 2.5071 1.8030 1.8030
H5 1.0965 2.5071 1.8030 1.8030
Maximum atom distance is 2.5071Å 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 108.323 Br2 C1 H4 108.323
Br2 C1 H5 108.323 H3 C1 H4 110.595
H3 C1 H5 110.595 H4 C1 H5 110.595

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