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

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

CCD/daug-cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8384   0.8384 0.0000 0.0000
B2 0.0000 0.0000 -0.8384   -0.8384 0.0000 0.0000
H3 0.0000 1.0285 1.4763   1.4763 -0.1300 1.0202
H4 0.0000 -1.0285 1.4763   1.4763 0.1300 -1.0202
H5 1.0285 0.0000 -1.4763   -1.4763 1.0202 0.1300
H6 -1.0285 0.0000 -1.4763   -1.4763 -1.0202 -0.1300
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6768 1.2102 1.2102 2.5329 2.5329
B2 1.6768 2.5329 2.5329 1.2102 1.2102
H3 1.2102 2.5329 2.0569 3.2914 3.2914
H4 1.2102 2.5329 2.0569 3.2914 3.2914
H5 2.5329 1.2102 3.2914 3.2914 2.0569
H6 2.5329 1.2102 3.2914 3.2914 2.0569
Maximum atom distance is 3.2914Å 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 121.810 B1 B2 H6 121.810
B2 B1 H3 121.810 B2 B1 H4 121.810
H3 B1 H4 116.380 H5 B2 H6 116.380

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