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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

PBEPBEultrafine/aug-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 -1.5365   0.0000 1.5365 -0.0000
Br2 0.0000 0.0000 0.4239   0.0000 -0.4239 0.0000
H3 0.0000 1.0480 -1.8721   1.0480 1.8721 -0.0000
H4 0.9076 -0.5240 -1.8721   -0.5240 1.8721 -0.9076
H5 -0.9076 -0.5240 -1.8721   -0.5240 1.8721 0.9076
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9604 1.1005 1.1005 1.1005
Br2 1.9604 2.5238 2.5238 2.5238
H3 1.1005 2.5238 1.8153 1.8153
H4 1.1005 2.5238 1.8153 1.8153
H5 1.1005 2.5238 1.8153 1.8153
Maximum atom distance is 2.5238Å 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 107.755 Br2 C1 H4 107.755
Br2 C1 H5 107.755 H3 C1 H4 111.131
H3 C1 H5 111.131 H4 C1 H5 111.131

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