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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/aug-cc-pVTZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8275   0.8275 0.0000 0.0000
B2 0.0000 0.0000 -0.8275   -0.8275 0.0000 0.0000
H3 0.0000 1.0168 1.4579   1.4579 0.4382 0.9175
H4 0.0000 -1.0168 1.4579   1.4579 -0.4382 -0.9175
H5 1.0168 0.0000 -1.4579   -1.4579 0.9175 -0.4382
H6 -1.0168 0.0000 -1.4579   -1.4579 -0.9175 0.4382
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6550 1.1963 1.1963 2.5013 2.5013
B2 1.6550 2.5013 2.5013 1.1963 1.1963
H3 1.1963 2.5013 2.0336 3.2510 3.2510
H4 1.1963 2.5013 2.0336 3.2510 3.2510
H5 2.5013 1.1963 3.2510 3.2510 2.0336
H6 2.5013 1.1963 3.2510 3.2510 2.0336
Maximum atom distance is 3.2510Å 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 121.798 B1 B2 H6 121.798
B2 B1 H3 121.798 B2 B1 H4 121.798
H3 B1 H4 116.404 H5 B2 H6 116.404

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