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Geometry for HBBH (Diborane(2)) 3ΣG D*H

1910171554
InChI=1S/B2H2/c1-2/h1-2H INChIKey=

HF/CEP-121G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7579
B2 0.0000 0.0000 -0.7579
H3 0.0000 0.0000 1.9327
H4 0.0000 0.0000 -1.9327
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5157 1.1748 2.6905
B2 1.5157 2.6905 1.1748
H3 1.1748 2.6905 3.8653
H4 2.6905 1.1748 3.8653
Maximum atom distance is 3.8653Å between atoms H3 and H4.
picture of Diborane(2)
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 B2 H4 180.000 B2 B1 H3 180.000

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