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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

mPW1PW91/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.4993   0.0000 1.4993 -0.0000
Br2 0.0000 0.0000 0.4174   0.0000 -0.4174 0.0000
H3 0.0000 1.0382 -1.8706   1.0382 1.8706 -0.0000
H4 0.8991 -0.5191 -1.8706   -0.5191 1.8706 -0.8991
H5 -0.8991 -0.5191 -1.8706   -0.5191 1.8706 0.8991
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9166 1.1026 1.1026 1.1026
Br2 1.9166 2.5125 2.5125 2.5125
H3 1.1026 2.5125 1.7982 1.7982
H4 1.1026 2.5125 1.7982 1.7982
H5 1.1026 2.5125 1.7982 1.7982
Maximum atom distance is 2.5125Å 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 109.681 Br2 C1 H4 109.681
Br2 C1 H5 109.681 H3 C1 H4 109.260
H3 C1 H5 109.260 H4 C1 H5 109.260

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