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

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

MP4=FULL/cc-pVTZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7529
B2 0.0000 0.0000 -0.7529
H3 0.0000 0.0000 1.9224
H4 0.0000 0.0000 -1.9224
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5058 1.1695 2.6752
B2 1.5058 2.6752 1.1695
H3 1.1695 2.6752 3.8447
H4 2.6752 1.1695 3.8447
Maximum atom distance is 3.8447Å 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.