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Geometry for Si2H6 (disilane) 1A1g D3D

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

PBE1PBE/cc-pVTZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1718   1.1718 0.0000 0.0000
Si2 0.0000 0.0000 -1.1718   -1.1718 0.0000 0.0000
H3 0.0000 1.3974 1.6893   1.6893 1.2688 0.5856
H4 -1.2102 -0.6987 1.6893   1.6893 -0.1273 -1.3916
H5 1.2102 -0.6987 1.6893   1.6893 -1.1415 0.8060
H6 0.0000 -1.3974 -1.6893   -1.6893 -1.2688 -0.5856
H7 -1.2102 0.6987 -1.6893   -1.6893 1.1415 -0.8060
H8 1.2102 0.6987 -1.6893   -1.6893 0.1273 1.3916
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3435 1.4902 1.4902 1.4902 3.1841 3.1841 3.1841
Si2 2.3435 3.1841 3.1841 3.1841 1.4902 1.4902 1.4902
H3 1.4902 3.1841 2.4204 2.4204 4.3847 3.6561 3.6561
H4 1.4902 3.1841 2.4204 2.4204 3.6561 3.6561 4.3847
H5 1.4902 3.1841 2.4204 2.4204 3.6561 4.3847 3.6561
H6 3.1841 1.4902 4.3847 3.6561 3.6561 2.4204 2.4204
H7 3.1841 1.4902 3.6561 3.6561 4.3847 2.4204 2.4204
H8 3.1841 1.4902 3.6561 4.3847 3.6561 2.4204 2.4204
Maximum atom distance is 4.3847Å 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 110.322 Si1 Si2 H7 110.322
Si1 Si2 H8 110.322 Si2 Si1 H3 110.322
Si2 Si1 H4 110.322 Si2 Si1 H5 110.322
H3 Si1 H4 108.608 H3 Si1 H5 108.608
H4 Si1 H5 108.608 H6 Si2 H7 108.608
H6 Si2 H8 108.608 H7 Si2 H8 108.608

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