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

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

B97D3/TZVP


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7594
B2 0.0000 0.0000 -0.7594
H3 0.0000 0.0000 1.9410
H4 0.0000 0.0000 -1.9410
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5188 1.1816 2.7004
B2 1.5188 2.7004 1.1816
H3 1.1816 2.7004 3.8820
H4 2.7004 1.1816 3.8820
Maximum atom distance is 3.8820Å 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.