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

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

CBS-Q


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8414   0.8414 0.0000 0.0000
B2 0.0000 0.0000 -0.8414   -0.8414 0.0000 0.0000
H3 0.0000 1.0186 1.4741   1.4741 1.0186 0.0000
H4 0.0000 -1.0186 1.4741   1.4741 -1.0186 0.0000
H5 1.0186 0.0000 -1.4741   -1.4741 0.0000 1.0186
H6 -1.0186 0.0000 -1.4741   -1.4741 0.0000 -1.0186
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6829 1.1991 1.1991 2.5297 2.5297
B2 1.6829 2.5297 2.5297 1.1991 1.1991
H3 1.1991 2.5297 2.0371 3.2813 3.2813
H4 1.1991 2.5297 2.0371 3.2813 3.2813
H5 2.5297 1.1991 3.2813 3.2813 2.0371
H6 2.5297 1.1991 3.2813 3.2813 2.0371
Maximum atom distance is 3.2813Å 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 121.845 B1 B2 H6 121.845
B2 B1 H3 121.845 B2 B1 H4 121.845
H3 B1 H4 116.310 H5 B2 H6 116.310

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