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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9658   0.9658 0.0000 0.0000
H2 -0.9067 0.0000 1.5646   1.5646 -0.9067 0.0000
H3 0.9067 0.0000 1.5646   1.5646 0.9067 0.0000
Br4 0.0000 1.6877 -0.1275   -0.1275 0.0000 1.6877
Br5 0.0000 -1.6877 -0.1275   -0.1275 0.0000 -1.6877
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0866 1.0866 2.0109 2.0109
H2 1.0866 1.8134 2.5561 2.5561
H3 1.0866 1.8134 2.5561 2.5561
Br4 2.0109 2.5561 2.5561 3.3755
Br5 2.0109 2.5561 2.5561 3.3755
Maximum atom distance is 3.3755Å 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 114.129
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 113.119 H2 C1 Br4 107.434
H2 C1 Br5 107.434 H3 C1 Br4 107.434
H3 C1 Br5 107.434

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