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Geometry for B2H4 (Diborane(4) D2d) 1A1 D2D

1910171554
InChI=1S/B2H4/c1-2/h1-2H2 INChIKey=QSJRRLWJRLPVID-UHFFFAOYSA-N

wB97X-D/6-31G


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8211   0.8211 0.0000 0.0000
B2 0.0000 0.0000 -0.8211   -0.8211 0.0000 0.0000
H3 0.0000 1.0179 1.4598   1.4598 0.3766 0.9456
H4 0.0000 -1.0179 1.4598   1.4598 -0.3766 -0.9456
H5 1.0179 0.0000 -1.4598   -1.4598 0.9456 -0.3766
H6 -1.0179 0.0000 -1.4598   -1.4598 -0.9456 0.3766
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6423 1.2017 1.2017 2.4978 2.4978
B2 1.6423 2.4978 2.4978 1.2017 1.2017
H3 1.2017 2.4978 2.0358 3.2553 3.2553
H4 1.2017 2.4978 2.0358 3.2553 3.2553
H5 2.4978 1.2017 3.2553 3.2553 2.0358
H6 2.4978 1.2017 3.2553 3.2553 2.0358
Maximum atom distance is 3.2553Å between atoms H3 and H5.
picture of Diborane(4) D2d
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 H5 122.108 B1 B2 H6 122.108
B2 B1 H3 122.108 B2 B1 H4 122.108
H3 B1 H4 115.785 H5 B2 H6 115.785

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