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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

1910171554
InChI=1S/CH2Br2/c2-1-3/h1H2 INChIKey=FJBFPHVGVWTDIP-UHFFFAOYSA-N

PBE1PBE/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9337   0.9337 0.0000 0.0000
H2 -0.9067 0.0000 1.5418   1.5418 -0.9067 0.0000
H3 0.9067 0.0000 1.5418   1.5418 0.9067 0.0000
Br4 0.0000 1.6119 -0.1241   -0.1241 0.0000 1.6119
Br5 0.0000 -1.6119 -0.1241   -0.1241 0.0000 -1.6119
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0917 1.0917 1.9280 1.9280
H2 1.0917 1.8134 2.4891 2.4891
H3 1.0917 1.8134 2.4891 2.4891
Br4 1.9280 2.4891 2.4891 3.2239
Br5 1.9280 2.4891 2.4891 3.2239
Maximum atom distance is 3.2239Å between atoms Br4 and Br5.
picture of dibromomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br4 C1 Br5 113.454
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.298 H2 C1 Br4 107.795
H2 C1 Br5 107.795 H3 C1 Br4 107.795
H3 C1 Br5 107.795

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