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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

HF/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5231   -1.5231 0.0000 -0.0000
Br2 0.0000 0.0000 0.4197   0.4197 0.0000 0.0000
H3 0.0000 1.0242 -1.8503   -1.8503 -1.0242 -0.0000
H4 0.8870 -0.5121 -1.8503   -1.8503 0.5121 -0.8870
H5 -0.8870 -0.5121 -1.8503   -1.8503 0.5121 0.8870
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9428 1.0752 1.0752 1.0752
Br2 1.9428 2.4904 2.4904 2.4904
H3 1.0752 2.4904 1.7739 1.7739
H4 1.0752 2.4904 1.7739 1.7739
H5 1.0752 2.4904 1.7739 1.7739
Maximum atom distance is 2.4904Å 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 107.718 Br2 C1 H4 107.718
Br2 C1 H5 107.718 H3 C1 H4 111.166
H3 C1 H5 111.166 H4 C1 H5 111.166

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