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Geometry for Si2H6 (disilane) 1A1g D3D

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

PBEPBEultrafine/TZVP


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1780   1.1780 0.0000 0.0000
Si2 0.0000 0.0000 -1.1780   -1.1780 0.0000 0.0000
H3 0.0000 1.4081 1.7017   1.7017 0.4141 1.3459
H4 -1.2195 -0.7041 1.7017   1.7017 -1.3726 -0.3143
H5 1.2195 -0.7041 1.7017   1.7017 0.9585 -1.0316
H6 0.0000 -1.4081 -1.7017   -1.7017 -0.4141 -1.3459
H7 -1.2195 0.7041 -1.7017   -1.7017 -0.9585 1.0316
H8 1.2195 0.7041 -1.7017   -1.7017 1.3726 0.3143
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3560 1.5024 1.5024 1.5024 3.2056 3.2056 3.2056
Si2 2.3560 3.2056 3.2056 3.2056 1.5024 1.5024 1.5024
H3 1.5024 3.2056 2.4390 2.4390 4.4176 3.6833 3.6833
H4 1.5024 3.2056 2.4390 2.4390 3.6833 3.6833 4.4176
H5 1.5024 3.2056 2.4390 2.4390 3.6833 4.4176 3.6833
H6 3.2056 1.5024 4.4176 3.6833 3.6833 2.4390 2.4390
H7 3.2056 1.5024 3.6833 3.6833 4.4176 2.4390 2.4390
H8 3.2056 1.5024 3.6833 4.4176 3.6833 2.4390 2.4390
Maximum atom distance is 4.4176Å between atoms H4 and H8.
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 110.402 Si1 Si2 H7 110.402
Si1 Si2 H8 110.402 Si2 Si1 H3 110.402
Si2 Si1 H4 110.402 Si2 Si1 H5 110.402
H3 Si1 H4 108.524 H3 Si1 H5 108.524
H4 Si1 H5 108.524 H6 Si2 H7 108.524
H6 Si2 H8 108.524 H7 Si2 H8 108.524

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