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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

B2PLYP=FULL/aug-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 -1.5337   0.0000 1.5337 0.0000
Br2 0.0000 0.0000 0.4229   0.0000 -0.4229 -0.0000
H3 0.0000 1.0404 -1.8661   1.0404 1.8661 0.0000
H4 0.9010 -0.5202 -1.8661   -0.5202 1.8661 -0.9010
H5 -0.9010 -0.5202 -1.8661   -0.5202 1.8661 0.9010
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9566 1.0922 1.0922 1.0922
Br2 1.9566 2.5143 2.5143 2.5143
H3 1.0922 2.5143 1.8020 1.8020
H4 1.0922 2.5143 1.8020 1.8020
H5 1.0922 2.5143 1.8020 1.8020
Maximum atom distance is 2.5143Å 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 107.717 Br2 C1 H4 107.717
Br2 C1 H5 107.717 H3 C1 H4 111.167
H3 C1 H5 111.167 H4 C1 H5 111.167

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