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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

QCISD(T)=FULL/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 0.9470   0.9470 0.0000 0.0000
H2 -0.9112 0.0000 1.5556   1.5556 -0.9112 0.0000
H3 0.9112 0.0000 1.5556   1.5556 0.9112 0.0000
Br4 0.0000 1.6231 -0.1256   -0.1256 0.0000 1.6231
Br5 0.0000 -1.6231 -0.1256   -0.1256 0.0000 -1.6231
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0957 1.0957 1.9456 1.9456
H2 1.0957 1.8224 2.5083 2.5083
H3 1.0957 1.8224 2.5083 2.5083
Br4 1.9456 2.5083 2.5083 3.2463
Br5 1.9456 2.5083 2.5083 3.2463
Maximum atom distance is 3.2463Å 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 113.082
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.525 H2 C1 Br4 107.831
H2 C1 Br5 107.831 H3 C1 Br4 107.831
H3 C1 Br5 107.831

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