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Geometry for CH3Br (methyl bromide) 1A1 C3V

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

B1B95/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5197   -1.5197 0.0000 0.0000
Br2 0.0000 0.0000 0.4194   0.4194 0.0000 0.0000
H3 0.0000 1.0298 -1.8540   -1.8540 0.9502 -0.3971
H4 0.8919 -0.5149 -1.8540   -1.8540 -0.1312 1.0214
H5 -0.8919 -0.5149 -1.8540   -1.8540 -0.8190 -0.6243
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9392 1.0827 1.0827 1.0827
Br2 1.9392 2.4958 2.4958 2.4958
H3 1.0827 2.4958 1.7837 1.7837
H4 1.0827 2.4958 1.7837 1.7837
H5 1.0827 2.4958 1.7837 1.7837
Maximum atom distance is 2.4958Å 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 107.984 Br2 C1 H4 107.984
Br2 C1 H5 107.984 H3 C1 H4 110.916
H3 C1 H5 110.916 H4 C1 H5 110.916

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