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

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

HF/STO-3G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7148
B2 0.0000 0.0000 -0.7148
H3 0.0000 0.0000 1.8626
H4 0.0000 0.0000 -1.8626
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.4296 1.1478 2.5774
B2 1.4296 2.5774 1.1478
H3 1.1478 2.5774 3.7252
H4 2.5774 1.1478 3.7252
Maximum atom distance is 3.7252Å 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.