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Geometry for CH2Br2 (dibromomethane) 1A1 C2V

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

B3LYP/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9341   0.9341 0.0000 0.0000
H2 -0.8991 0.0000 1.5350   1.5350 -0.8991 0.0000
H3 0.8991 0.0000 1.5350   1.5350 0.8991 0.0000
Br4 0.0000 1.6404 -0.1239   -0.1239 0.0000 1.6404
Br5 0.0000 -1.6404 -0.1239   -0.1239 0.0000 -1.6404
Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C1 1.0814 1.0814 1.9520 1.9520
H2 1.0814 1.7982 2.5002 2.5002
H3 1.0814 1.7982 2.5002 2.5002
Br4 1.9520 2.5002 2.5002 3.2807
Br5 1.9520 2.5002 2.5002 3.2807
Maximum atom distance is 3.2807Å 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 114.358
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.489 H2 C1 Br4 107.528
H2 C1 Br5 107.528 H3 C1 Br4 107.528
H3 C1 Br5 107.528

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