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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9326   0.9326 0.0000 0.0000
H2 -0.8965 0.0000 1.5446   1.5446 -0.8965 0.0000
H3 0.8965 0.0000 1.5446   1.5446 0.8965 0.0000
Br4 0.0000 1.6087 -0.1241   -0.1241 0.0000 1.6087
Br5 0.0000 -1.6087 -0.1241   -0.1241 0.0000 -1.6087
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0854 1.0854 1.9247 1.9247
H2 1.0854 1.7930 2.4852 2.4852
H3 1.0854 1.7930 2.4852 2.4852
Br4 1.9247 2.4852 2.4852 3.2174
Br5 1.9247 2.4852 2.4852 3.2174
Maximum atom distance is 3.2174Å 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 114.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.140 H2 C1 Br4 107.679
H2 C1 Br5 107.679 H3 C1 Br4 107.679
H3 C1 Br5 107.679

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