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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 Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9460   0.9460 0.0000 0.0000
H2 -0.9006 0.0000 1.5462   1.5462 -0.9006 0.0000
H3 0.9006 0.0000 1.5462   1.5462 0.9006 0.0000
Br4 0.0000 1.6209 -0.1253   -0.1253 0.0000 1.6209
Br5 0.0000 -1.6209 -0.1253   -0.1253 0.0000 -1.6209
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0823 1.0823 1.9429 1.9429
H2 1.0823 1.8011 2.4964 2.4964
H3 1.0823 1.8011 2.4964 2.4964
Br4 1.9429 2.4964 2.4964 3.2417
Br5 1.9429 2.4964 2.4964 3.2417
Maximum atom distance is 3.2417Å 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 113.078
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.633 H2 C1 Br4 107.806
H2 C1 Br5 107.806 H3 C1 Br4 107.806
H3 C1 Br5 107.806

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