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

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

PBEPBE/cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8153   0.8153 0.0000 0.0000
B2 0.0000 0.0000 -0.8153   -0.8153 0.0000 0.0000
H3 0.0000 1.0309 1.4701   1.4701 0.7182 0.7396
H4 0.0000 -1.0309 1.4701   1.4701 -0.7182 -0.7396
H5 1.0309 0.0000 -1.4701   -1.4701 0.7396 -0.7182
H6 -1.0309 0.0000 -1.4701   -1.4701 -0.7396 0.7182
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6307 1.2213 1.2213 2.5072 2.5072
B2 1.6307 2.5072 2.5072 1.2213 1.2213
H3 1.2213 2.5072 2.0619 3.2818 3.2818
H4 1.2213 2.5072 2.0619 3.2818 3.2818
H5 2.5072 1.2213 3.2818 3.2818 2.0619
H6 2.5072 1.2213 3.2818 3.2818 2.0619
Maximum atom distance is 3.2818Å 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 122.418 B1 B2 H6 122.418
B2 B1 H3 122.418 B2 B1 H4 122.418
H3 B1 H4 115.163 H5 B2 H6 115.163

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