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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3PW91/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 0.9353   0.0000 0.9353 0.0000
H2 -0.9071 0.0000 1.5424   0.0000 1.5424 -0.9071
H3 0.9071 0.0000 1.5424   0.0000 1.5424 0.9071
Br4 0.0000 1.6207 -0.1242   1.6207 -0.1242 0.0000
Br5 0.0000 -1.6207 -0.1242   -1.6207 -0.1242 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0915 1.0915 1.9363 1.9363
H2 1.0915 1.8142 2.4954 2.4954
H3 1.0915 1.8142 2.4954 2.4954
Br4 1.9363 2.4954 2.4954 3.2414
Br5 1.9363 2.4954 2.4954 3.2414
Maximum atom distance is 3.2414Å 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 113.648
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.417 H2 C1 Br4 107.719
H2 C1 Br5 107.719 H3 C1 Br4 107.719
H3 C1 Br5 107.719

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