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

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

PBE1PBE/STO-3G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7295
B2 0.0000 0.0000 -0.7295
H3 0.0000 0.0000 1.8907
H4 0.0000 0.0000 -1.8907
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.4589 1.1613 2.6202
B2 1.4589 2.6202 1.1613
H3 1.1613 2.6202 3.7814
H4 2.6202 1.1613 3.7814
Maximum atom distance is 3.7814Å 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.