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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

QCISD/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.7366 -0.1154   0.7366 0.0000 -0.1154
B2 0.0000 -0.7366 -0.1154   -0.7366 0.0000 -0.1154
H3 0.9062 0.0000 0.5685   0.0000 0.9062 0.5685
H4 -0.9062 0.0000 0.5685   0.0000 -0.9062 0.5685
H5 0.0000 1.9054 0.0083   1.9054 0.0000 0.0083
H6 0.0000 -1.9054 0.0083   -1.9054 0.0000 0.0083
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.4731 1.3533 1.3533 1.1754 2.6449
B2 1.4731 1.3533 1.3533 2.6449 1.1754
H3 1.3533 1.3533 1.8123 2.1831 2.1831
H4 1.3533 1.3533 1.8123 2.1831 2.1831
H5 1.1754 2.6449 2.1831 2.1831 3.8109
H6 2.6449 1.1754 2.1831 2.1831 3.8109
Maximum atom distance is 3.8109Å 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 57.025 B1 B2 H4 57.025
B1 B2 H6 173.963 B1 H3 B2 65.951
B1 H4 B2 65.951 B2 B1 H3 57.025
B2 B1 H4 57.025 B2 B1 H5 173.963
H3 B1 H4 84.075 H3 B1 H5 119.217
H3 B2 H4 84.075 H3 B2 H6 119.217
H4 B1 H5 119.217 H4 B2 H6 119.217

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