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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B2PLYP/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 0.9436   0.9436 0.0000 0.0000
H2 -0.8972 0.0000 1.5556   1.5556 -0.8972 0.0000
H3 0.8972 0.0000 1.5556   1.5556 0.8972 0.0000
Br4 0.0000 1.6249 -0.1253   -0.1253 0.0000 1.6249
Br5 0.0000 -1.6249 -0.1253   -0.1253 0.0000 -1.6249
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0860 1.0860 1.9450 1.9450
H2 1.0860 1.7943 2.5041 2.5041
H3 1.0860 1.7943 2.5041 2.5041
Br4 1.9450 2.5041 2.5041 3.2498
Br5 1.9450 2.5041 2.5041 3.2498
Maximum atom distance is 3.2498Å 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 113.323
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 111.402 H2 C1 Br4 108.041
H2 C1 Br5 108.041 H3 C1 Br4 108.041
H3 C1 Br5 108.041

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