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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

CCSD/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 -1.5295   -1.5295 0.0000 0.0000
Br2 0.0000 0.0000 0.4209   0.4209 0.0000 0.0000
H3 0.0000 1.0412 -1.8510   -1.8510 1.0411 0.0136
H4 0.9017 -0.5206 -1.8510   -1.8510 -0.5323 0.8948
H5 -0.9017 -0.5206 -1.8510   -1.8510 -0.5087 -0.9084
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9504 1.0897 1.0897 1.0897
Br2 1.9504 2.4991 2.4991 2.4991
H3 1.0897 2.4991 1.8033 1.8033
H4 1.0897 2.4991 1.8033 1.8033
H5 1.0897 2.4991 1.8033 1.8033
Maximum atom distance is 2.4991Å 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 107.161 Br2 C1 H4 107.161
Br2 C1 H5 107.161 H3 C1 H4 111.679
H3 C1 H5 111.679 H4 C1 H5 111.679

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