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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3LYP/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 0.9347   0.9347 0.0000 0.0000
H2 -0.9085 0.0000 1.5433   1.5433 -0.9085 0.0000
H3 0.9085 0.0000 1.5433   1.5433 0.9085 0.0000
Br4 0.0000 1.6390 -0.1242   -0.1242 0.0000 1.6390
Br5 0.0000 -1.6390 -0.1242   -0.1242 0.0000 -1.6390
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0935 1.0935 1.9513 1.9513
H2 1.0935 1.8171 2.5084 2.5084
H3 1.0935 1.8171 2.5084 2.5084
Br4 1.9513 2.5084 2.5084 3.2779
Br5 1.9513 2.5084 2.5084 3.2779
Maximum atom distance is 3.2779Å 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 114.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.366 H2 C1 Br4 107.579
H2 C1 Br5 107.579 H3 C1 Br4 107.579
H3 C1 Br5 107.579

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