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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

mPW1PW91/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 -1.5220   0.0000 -1.5220 0.0000
Br2 0.0000 0.0000 0.4200   0.0000 0.4200 0.0000
H3 0.0000 1.0393 -1.8559   1.0393 -1.8559 0.0000
H4 0.9001 -0.5197 -1.8559   -0.5197 -1.8559 0.9001
H5 -0.9001 -0.5197 -1.8559   -0.5197 -1.8559 -0.9001
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9419 1.0917 1.0917 1.0917
Br2 1.9419 2.5020 2.5020 2.5020
H3 1.0917 2.5020 1.8002 1.8002
H4 1.0917 2.5020 1.8002 1.8002
H5 1.0917 2.5020 1.8002 1.8002
Maximum atom distance is 2.5020Å 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 107.812 Br2 C1 H4 107.812
Br2 C1 H5 107.812 H3 C1 H4 111.078
H3 C1 H5 111.078 H4 C1 H5 111.078

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