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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

CCD/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 -1.5302   0.0000 1.5302 -0.0000
Br2 0.0000 0.0000 0.4220   0.0000 -0.4220 0.0000
H3 0.0000 1.0314 -1.8634   1.0314 1.8634 -0.0000
H4 0.8932 -0.5157 -1.8634   -0.5157 1.8634 -0.8932
H5 -0.8932 -0.5157 -1.8634   -0.5157 1.8634 0.8932
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9522 1.0839 1.0839 1.0839
Br2 1.9522 2.5074 2.5074 2.5074
H3 1.0839 2.5074 1.7865 1.7865
H4 1.0839 2.5074 1.7865 1.7865
H5 1.0839 2.5074 1.7865 1.7865
Maximum atom distance is 2.5074Å 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 107.906 Br2 C1 H4 107.906
Br2 C1 H5 107.906 H3 C1 H4 110.990
H3 C1 H5 110.990 H4 C1 H5 110.990

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