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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3LYPultrafine/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9342   0.0000 0.9342 0.0000
H2 -0.8982 0.0000 1.5347   0.0000 1.5347 -0.8982
H3 0.8982 0.0000 1.5347   0.0000 1.5347 0.8982
Br4 0.0000 1.6333 -0.1239   1.6333 -0.1239 0.0000
Br5 0.0000 -1.6333 -0.1239   -1.6333 -0.1239 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0804 1.0804 1.9461 1.9461
H2 1.0804 1.7964 2.4950 2.4950
H3 1.0804 1.7964 2.4950 2.4950
Br4 1.9461 2.4950 2.4950 3.2665
Br5 1.9461 2.4950 2.4950 3.2665
Maximum atom distance is 3.2665Å 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 114.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.469 H2 C1 Br4 107.589
H2 C1 Br5 107.589 H3 C1 Br4 107.589
H3 C1 Br5 107.589

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