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Geometry for Si2H6 (disilane) 1A1g D3D

1910171554
InChI=1S/H6Si2/c1-2/h1-2H3 INChIKey=PZPGRFITIJYNEJ-UHFFFAOYSA-N

QCISD/6-311G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1715   0.0000 1.1715 0.0000
Si2 0.0000 0.0000 -1.1715   0.0000 -1.1715 0.0000
H3 0.0000 1.3878 1.6859   1.3878 1.6859 0.0000
H4 -1.2019 -0.6939 1.6859   -0.6939 1.6859 -1.2019
H5 1.2019 -0.6939 1.6859   -0.6939 1.6859 1.2019
H6 0.0000 -1.3878 -1.6859   -1.3878 -1.6859 0.0000
H7 -1.2019 0.6939 -1.6859   0.6939 -1.6859 -1.2019
H8 1.2019 0.6939 -1.6859   0.6939 -1.6859 1.2019
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3430 1.4801 1.4801 1.4801 3.1766 3.1766 3.1766
Si2 2.3430 3.1766 3.1766 3.1766 1.4801 1.4801 1.4801
H3 1.4801 3.1766 2.4038 2.4038 4.3672 3.6462 3.6462
H4 1.4801 3.1766 2.4038 2.4038 3.6462 3.6462 4.3672
H5 1.4801 3.1766 2.4038 2.4038 3.6462 4.3672 3.6462
H6 3.1766 1.4801 4.3672 3.6462 3.6462 2.4038 2.4038
H7 3.1766 1.4801 3.6462 3.6462 4.3672 2.4038 2.4038
H8 3.1766 1.4801 3.6462 4.3672 3.6462 2.4038 2.4038
Maximum atom distance is 4.3672Å between atoms H3 and H6.
picture of disilane
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
Si1 Si2 H6 110.335 Si1 Si2 H7 110.335
Si1 Si2 H8 110.335 Si2 Si1 H3 110.335
Si2 Si1 H4 110.335 Si2 Si1 H5 110.335
H3 Si1 H4 108.593 H3 Si1 H5 108.593
H4 Si1 H5 108.593 H6 Si2 H7 108.593
H6 Si2 H8 108.593 H7 Si2 H8 108.593

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