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

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

MP2/CEP-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 0.8489   0.8489 0.0000 0.0000
B2 0.0000 0.0000 -0.8489   -0.8489 0.0000 0.0000
H3 0.0000 1.0270 1.4867   1.4867 1.0270 0.0000
H4 0.0000 -1.0270 1.4867   1.4867 -1.0270 0.0000
H5 1.0270 0.0000 -1.4867   -1.4867 0.0000 1.0270
H6 -1.0270 0.0000 -1.4867   -1.4867 0.0000 -1.0270
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6978 1.2089 1.2089 2.5514 2.5514
B2 1.6978 2.5514 2.5514 1.2089 1.2089
H3 1.2089 2.5514 2.0539 3.3091 3.3091
H4 1.2089 2.5514 2.0539 3.3091 3.3091
H5 2.5514 1.2089 3.3091 3.3091 2.0539
H6 2.5514 1.2089 3.3091 3.3091 2.0539
Maximum atom distance is 3.3091Å 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 121.841 B1 B2 H6 121.841
B2 B1 H3 121.841 B2 B1 H4 121.841
H3 B1 H4 116.318 H5 B2 H6 116.318

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