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

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

MP3/6-31G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7545
B2 0.0000 0.0000 -0.7545
H3 0.0000 0.0000 1.9336
H4 0.0000 0.0000 -1.9336
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5089 1.1792 2.6881
B2 1.5089 2.6881 1.1792
H3 1.1792 2.6881 3.8672
H4 2.6881 1.1792 3.8672
Maximum atom distance is 3.8672Å 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.