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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

QCISD/daug-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 0.9421   0.0000 0.9421 0.0000
H2 -0.9088 0.0000 1.5524   0.0000 1.5524 -0.9088
H3 0.9088 0.0000 1.5524   0.0000 1.5524 0.9088
Br4 0.0000 1.6226 -0.1251   1.6226 -0.1251 0.0000
Br5 0.0000 -1.6226 -0.1251   -1.6226 -0.1251 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0947 1.0947 1.9420 1.9420
H2 1.0947 1.8176 2.5045 2.5045
H3 1.0947 1.8176 2.5045 2.5045
Br4 1.9420 2.5045 2.5045 3.2451
Br5 1.9420 2.5045 2.5045 3.2451
Maximum atom distance is 3.2451Å 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 113.333
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.233 H2 C1 Br4 107.840
H2 C1 Br5 107.840 H3 C1 Br4 107.840
H3 C1 Br5 107.840

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