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

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

QCISD(T)=FULL/Def2TZVPP


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8232   0.8232 0.0000 0.0000
B2 0.0000 0.0000 -0.8232   -0.8232 0.0000 0.0000
H3 0.0000 1.0135 1.4540   1.4540 0.3744 0.9418
H4 0.0000 -1.0135 1.4540   1.4540 -0.3744 -0.9418
H5 1.0135 0.0000 -1.4540   -1.4540 0.9418 -0.3744
H6 -1.0135 0.0000 -1.4540   -1.4540 -0.9418 0.3744
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6464 1.1937 1.1937 2.4926 2.4926
B2 1.6464 2.4926 2.4926 1.1937 1.1937
H3 1.1937 2.4926 2.0270 3.2420 3.2420
H4 1.1937 2.4926 2.0270 3.2420 3.2420
H5 2.4926 1.1937 3.2420 3.2420 2.0270
H6 2.4926 1.1937 3.2420 3.2420 2.0270
Maximum atom distance is 3.2420Å 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 121.898 B1 B2 H6 121.898
B2 B1 H3 121.898 B2 B1 H4 121.898
H3 B1 H4 116.203 H5 B2 H6 116.203

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