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

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

PBE1PBE/3-21G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7592
B2 0.0000 0.0000 -0.7592
H3 0.0000 0.0000 1.9372
H4 0.0000 0.0000 -1.9372
Atom - Atom Distances (Å)
  B1 B2 H3 H4
B1 1.5184 1.1780 2.6964
B2 1.5184 2.6964 1.1780
H3 1.1780 2.6964 3.8744
H4 2.6964 1.1780 3.8744
Maximum atom distance is 3.8744Å 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.