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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

QCISD(T)/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 -1.5299   -1.5299 0.0000 0.0000
Br2 0.0000 0.0000 0.4228   0.4228 0.0000 0.0000
H3 0.0000 1.0461 -1.8727   -1.8727 1.0461 0.0000
H4 0.9059 -0.5230 -1.8727   -1.8727 -0.5230 0.9059
H5 -0.9059 -0.5230 -1.8727   -1.8727 -0.5230 -0.9059
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9527 1.1008 1.1008 1.1008
Br2 1.9527 2.5226 2.5226 2.5226
H3 1.1008 2.5226 1.8119 1.8119
H4 1.1008 2.5226 1.8119 1.8119
H5 1.1008 2.5226 1.8119 1.8119
Maximum atom distance is 2.5226Å 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 108.143 Br2 C1 H4 108.143
Br2 C1 H5 108.143 H3 C1 H4 110.766
H3 C1 H5 110.766 H4 C1 H5 110.766

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