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

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

MP3/TZVP


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7551
B2 0.0000 0.0000 -0.7551
H3 0.0000 0.0000 1.9280
H4 0.0000 0.0000 -1.9280
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5101 1.1729 2.6830
B2 1.5101 2.6830 1.1729
H3 1.1729 2.6830 3.8559
H4 2.6830 1.1729 3.8559
Maximum atom distance is 3.8559Å 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.