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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

MP3/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5339   -1.5339 0.0000 0.0000
Br2 0.0000 0.0000 0.4228   0.4228 0.0000 0.0000
H3 0.0000 1.0356 -1.8643   -1.8643 1.0356 0.0000
H4 0.8969 -0.5178 -1.8643   -1.8643 -0.5178 0.8969
H5 -0.8969 -0.5178 -1.8643   -1.8643 -0.5178 -0.8969
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9567 1.0870 1.0870 1.0870
Br2 1.9567 2.5106 2.5106 2.5106
H3 1.0870 2.5106 1.7937 1.7937
H4 1.0870 2.5106 1.7937 1.7937
H5 1.0870 2.5106 1.7937 1.7937
Maximum atom distance is 2.5106Å 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 107.693 Br2 C1 H4 107.693
Br2 C1 H5 107.693 H3 C1 H4 111.189
H3 C1 H5 111.189 H4 C1 H5 111.189

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