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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

QCISD/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9314   0.9314 0.0000 0.0000
H2 -0.8944 0.0000 1.5371   1.5371 -0.8944 0.0000
H3 0.8944 0.0000 1.5371   1.5371 0.8944 0.0000
Br4 0.0000 1.6091 -0.1238   -0.1238 0.0000 1.6091
Br5 0.0000 -1.6091 -0.1238   -0.1238 0.0000 -1.6091
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0802 1.0802 1.9242 1.9242
H2 1.0802 1.7889 2.4794 2.4794
H3 1.0802 1.7889 2.4794 2.4794
Br4 1.9242 2.4794 2.4794 3.2182
Br5 1.9242 2.4794 2.4794 3.2182
Maximum atom distance is 3.2182Å 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 113.492
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 111.789 H2 C1 Br4 107.907
H2 C1 Br5 107.907 H3 C1 Br4 107.907
H3 C1 Br5 107.907

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