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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/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 0.8276   0.8276 0.0000 0.0000
B2 0.0000 0.0000 -0.8276   -0.8276 0.0000 0.0000
H3 0.0000 1.0143 1.4557   1.4557 0.9562 -0.3383
H4 0.0000 -1.0143 1.4557   1.4557 -0.9562 0.3383
H5 1.0143 0.0000 -1.4557   -1.4557 0.3383 0.9562
H6 -1.0143 0.0000 -1.4557   -1.4557 -0.3383 -0.9562
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6553 1.1930 1.1930 2.4985 2.4985
B2 1.6553 2.4985 2.4985 1.1930 1.1930
H3 1.1930 2.4985 2.0286 3.2456 3.2456
H4 1.1930 2.4985 2.0286 3.2456 3.2456
H5 2.4985 1.1930 3.2456 3.2456 2.0286
H6 2.4985 1.1930 3.2456 3.2456 2.0286
Maximum atom distance is 3.2456Å 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 121.766 B1 B2 H6 121.766
B2 B1 H3 121.766 B2 B1 H4 121.766
H3 B1 H4 116.468 H5 B2 H6 116.468

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