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Geometry for Si2H6 (disilane) 1A1g D3D

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

B2PLYP/3-21G


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1864   1.1864 0.0000 0.0000
Si2 0.0000 0.0000 -1.1864   -1.1864 0.0000 -0.0000
H3 0.0000 1.4046 1.7022   1.7022 -1.4046 -0.0000
H4 -1.2164 -0.7023 1.7022   1.7022 0.7023 1.2164
H5 1.2164 -0.7023 1.7022   1.7022 0.7023 -1.2164
H6 0.0000 -1.4046 -1.7022   -1.7022 1.4046 0.0000
H7 -1.2164 0.7023 -1.7022   -1.7022 -0.7023 1.2164
H8 1.2164 0.7023 -1.7022   -1.7022 -0.7023 -1.2164
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3727 1.4963 1.4963 1.4963 3.2120 3.2120 3.2120
Si2 2.3727 3.2120 3.2120 3.2120 1.4963 1.4963 1.4963
H3 1.4963 3.2120 2.4329 2.4329 4.4138 3.6828 3.6828
H4 1.4963 3.2120 2.4329 2.4329 3.6828 3.6828 4.4138
H5 1.4963 3.2120 2.4329 2.4329 3.6828 4.4138 3.6828
H6 3.2120 1.4963 4.4138 3.6828 3.6828 2.4329 2.4329
H7 3.2120 1.4963 3.6828 3.6828 4.4138 2.4329 2.4329
H8 3.2120 1.4963 3.6828 4.4138 3.6828 2.4329 2.4329
Maximum atom distance is 4.4138Å 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 110.165 Si1 Si2 H7 110.165
Si1 Si2 H8 110.165 Si2 Si1 H3 110.165
Si2 Si1 H4 110.165 Si2 Si1 H5 110.165
H3 Si1 H4 108.769 H3 Si1 H5 108.769
H4 Si1 H5 108.769 H6 Si2 H7 108.769
H6 Si2 H8 108.769 H7 Si2 H8 108.769

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