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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

TPSSh/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 -1.5734   0.0000 1.5734 0.0000
Br2 0.0000 0.0000 0.4317   0.0000 -0.4317 -0.0000
H3 0.0000 1.0396 -1.8897   1.0396 1.8897 0.0000
H4 0.9003 -0.5198 -1.8897   -0.5198 1.8897 -0.9003
H5 -0.9003 -0.5198 -1.8897   -0.5198 1.8897 0.9003
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 2.0051 1.0866 1.0866 1.0866
Br2 2.0051 2.5435 2.5435 2.5435
H3 1.0866 2.5435 1.8006 1.8006
H4 1.0866 2.5435 1.8006 1.8006
H5 1.0866 2.5435 1.8006 1.8006
Maximum atom distance is 2.5435Å 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 106.924 Br2 C1 H4 106.924
Br2 C1 H5 106.924 H3 C1 H4 111.893
H3 C1 H5 111.893 H4 C1 H5 111.893

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