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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

MP4=FULL/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5358   -1.5358 0.0000 0.0000
Br2 0.0000 0.0000 0.4235   0.4235 0.0000 0.0000
H3 0.0000 1.0383 -1.8688   -1.8688 0.3785 0.9668
H4 0.8992 -0.5191 -1.8688   -1.8688 0.6481 -0.8112
H5 -0.8992 -0.5191 -1.8688   -1.8688 -1.0265 -0.1557
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9593 1.0904 1.0904 1.0904
Br2 1.9593 2.5165 2.5165 2.5165
H3 1.0904 2.5165 1.7984 1.7984
H4 1.0904 2.5165 1.7984 1.7984
H5 1.0904 2.5165 1.7984 1.7984
Maximum atom distance is 2.5165Å 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 107.783 Br2 C1 H4 107.783
Br2 C1 H5 107.783 H3 C1 H4 111.106
H3 C1 H5 111.106 H4 C1 H5 111.106

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