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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B2PLYP/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9328   0.0000 0.9328 0.0000
H2 -0.8966 0.0000 1.5391   0.0000 1.5391 -0.8966
H3 0.8966 0.0000 1.5391   0.0000 1.5391 0.8966
Br4 0.0000 1.6310 -0.1239   1.6310 -0.1239 0.0000
Br5 0.0000 -1.6310 -0.1239   -1.6310 -0.1239 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0823 1.0823 1.9434 1.9434
H2 1.0823 1.7931 2.4959 2.4959
H3 1.0823 1.7931 2.4959 2.4959
Br4 1.9434 2.4959 2.4959 3.2620
Br5 1.9434 2.4959 2.4959 3.2620
Maximum atom distance is 3.2620Å 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 114.123
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 111.860 H2 C1 Br4 107.735
H2 C1 Br5 107.735 H3 C1 Br4 107.735
H3 C1 Br5 107.735

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