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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

CCD/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 -1.5136   -1.5136 -0.0000 0.0000
Br2 0.0000 0.0000 0.4182   0.4182 0.0000 0.0000
H3 0.0000 1.0291 -1.8518   -1.8518 -1.0291 0.0000
H4 0.8913 -0.5146 -1.8518   -1.8518 0.5146 -0.8913
H5 -0.8913 -0.5146 -1.8518   -1.8518 0.5146 0.8913
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9317 1.0833 1.0833 1.0833
Br2 1.9317 2.4924 2.4924 2.4924
H3 1.0833 2.4924 1.7825 1.7825
H4 1.0833 2.4924 1.7825 1.7825
H5 1.0833 2.4924 1.7825 1.7825
Maximum atom distance is 2.4924Å 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 108.193 Br2 C1 H4 108.193
Br2 C1 H5 108.193 H3 C1 H4 110.719
H3 C1 H5 110.719 H4 C1 H5 110.719

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