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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B2PLYP=FULLultrafine/6-31G*


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.9471
H2 -0.9013 0.0000 1.5484
H3 0.9013 0.0000 1.5484
Br4 0.0000 1.6218 -0.1254
Br5 0.0000 -1.6218 -0.1254
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0835 1.0835 1.9443 1.9443
H2 1.0835 1.8025 2.4988 2.4988
H3 1.0835 1.8025 2.4988 2.4988
Br4 1.9443 2.4988 2.4988 3.2436
Br5 1.9443 2.4988 2.4988 3.2436
Maximum atom distance is 3.2436Å 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 113.047
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.574 H2 C1 Br4 107.827
H2 C1 Br5 107.827 H3 C1 Br4 107.827
H3 C1 Br5 107.827

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