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

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

CID/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 0.8286   0.8286 0.0000 0.0000
B2 0.0000 0.0000 -0.8286   -0.8286 0.0000 0.0000
H3 0.0000 1.0175 1.4640   1.4640 -0.3391 0.9593
H4 0.0000 -1.0175 1.4640   1.4640 0.3391 -0.9593
H5 1.0175 0.0000 -1.4640   -1.4640 0.9593 0.3391
H6 -1.0175 0.0000 -1.4640   -1.4640 -0.9593 -0.3391
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6571 1.1996 1.1996 2.5082 2.5082
B2 1.6571 2.5082 2.5082 1.1996 1.1996
H3 1.1996 2.5082 2.0349 3.2624 3.2624
H4 1.1996 2.5082 2.0349 3.2624 3.2624
H5 2.5082 1.1996 3.2624 3.2624 2.0349
H6 2.5082 1.1996 3.2624 3.2624 2.0349
Maximum atom distance is 3.2624Å 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 121.985 B1 B2 H6 121.985
B2 B1 H3 121.985 B2 B1 H4 121.985
H3 B1 H4 116.030 H5 B2 H6 116.030

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