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

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

HF/cc-pVQZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7488
B2 0.0000 0.0000 -0.7488
H3 0.0000 0.0000 1.9175
H4 0.0000 0.0000 -1.9175
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.4977 1.1687 2.6664
B2 1.4977 2.6664 1.1687
H3 1.1687 2.6664 3.8350
H4 2.6664 1.1687 3.8350
Maximum atom distance is 3.8350Å 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.