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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3LYPultrafine/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9493   0.9493 0.0000 0.0000
H2 -0.9007 0.0000 1.5522   1.5522 -0.9007 0.0000
H3 0.9007 0.0000 1.5522   1.5522 0.9007 0.0000
Br4 0.0000 1.6723 -0.1257   -0.1257 0.0000 1.6723
Br5 0.0000 -1.6723 -0.1257   -0.1257 0.0000 -1.6723
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0839 1.0839 1.9881 1.9881
H2 1.0839 1.8014 2.5344 2.5344
H3 1.0839 1.8014 2.5344 2.5344
Br4 1.9881 2.5344 2.5344 3.3447
Br5 1.9881 2.5344 2.5344 3.3447
Maximum atom distance is 3.3447Å 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 114.533
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.406 H2 C1 Br4 107.505
H2 C1 Br5 107.505 H3 C1 Br4 107.505
H3 C1 Br5 107.505

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