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

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

QCISD/6-31G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7668
B2 0.0000 0.0000 -0.7668
H3 0.0000 0.0000 1.9563
H4 0.0000 0.0000 -1.9563
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5336 1.1895 2.7231
B2 1.5336 2.7231 1.1895
H3 1.1895 2.7231 3.9127
H4 2.7231 1.1895 3.9127
Maximum atom distance is 3.9127Å 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.