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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

MP2=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 -1.5240   0.0000 -1.5240 0.0000
Br2 0.0000 0.0000 0.4203   0.0000 0.4203 0.0000
H3 0.0000 1.0298 -1.8560   1.0298 -1.8560 0.0000
H4 0.8918 -0.5149 -1.8560   -0.5149 -1.8560 0.8918
H5 -0.8918 -0.5149 -1.8560   -0.5149 -1.8560 -0.8918
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9443 1.0820 1.0820 1.0820
Br2 1.9443 2.4985 2.4985 2.4985
H3 1.0820 2.4985 1.7836 1.7836
H4 1.0820 2.4985 1.7836 1.7836
H5 1.0820 2.4985 1.7836 1.7836
Maximum atom distance is 2.4985Å 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 107.871 Br2 C1 H4 107.871
Br2 C1 H5 107.871 H3 C1 H4 111.023
H3 C1 H5 111.023 H4 C1 H5 111.023

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