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Geometry for HBHHBH (Diborane(4) C2V) 1A1 C2V

1910171554
InChI=1S/B2H4/c1-3-2-4-1/h1-2H INChIKey=DMJZZSLVPSMWCS-UHFFFAOYSA-N

HF/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.7356 -0.1130   0.7356 0.0000 -0.1130
B2 0.0000 -0.7356 -0.1130   -0.7356 0.0000 -0.1130
H3 0.9094 0.0000 0.5944   0.0000 0.9094 0.5944
H4 -0.9094 0.0000 0.5944   0.0000 -0.9094 0.5944
H5 0.0000 1.9082 -0.0293   1.9082 0.0000 -0.0293
H6 0.0000 -1.9082 -0.0293   -1.9082 0.0000 -0.0293
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.4713 1.3670 1.3670 1.1756 2.6452
B2 1.4713 1.3670 1.3670 2.6452 1.1756
H3 1.3670 1.3670 1.8189 2.2040 2.2040
H4 1.3670 1.3670 1.8189 2.2040 2.2040
H5 1.1756 2.6452 2.2040 2.2040 3.8164
H6 2.6452 1.1756 2.2040 2.2040 3.8164
Maximum atom distance is 3.8164Å between atoms H5 and H6.
picture of Diborane(4) C2V
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 H3 57.443 B1 B2 H4 57.443
B1 B2 H6 175.917 B1 H3 B2 65.114
B1 H4 B2 65.114 B2 B1 H3 57.443
B2 B1 H4 57.443 B2 B1 H5 175.917
H3 B1 H4 83.408 H3 B1 H5 119.995
H3 B2 H4 83.408 H3 B2 H6 119.995
H4 B1 H5 119.995 H4 B2 H6 119.995

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.