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Geometry for Si2H6 (disilane) 1A1g D3D

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

MP2/aug-cc-pVDZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1815   0.0000 1.1815 0.0000
Si2 0.0000 0.0000 -1.1815   0.0000 -1.1815 0.0000
H3 0.0000 1.4005 1.6946   1.4005 1.6946 0.0000
H4 -1.2128 -0.7002 1.6946   -0.7002 1.6946 -1.2128
H5 1.2128 -0.7002 1.6946   -0.7002 1.6946 1.2128
H6 0.0000 -1.4005 -1.6946   -1.4005 -1.6946 0.0000
H7 -1.2128 0.7002 -1.6946   0.7002 -1.6946 -1.2128
H8 1.2128 0.7002 -1.6946   0.7002 -1.6946 1.2128
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3629 1.4915 1.4915 1.4915 3.1989 3.1989 3.1989
Si2 2.3629 3.1989 3.1989 3.1989 1.4915 1.4915 1.4915
H3 1.4915 3.1989 2.4257 2.4257 4.3968 3.6671 3.6671
H4 1.4915 3.1989 2.4257 2.4257 3.6671 3.6671 4.3968
H5 1.4915 3.1989 2.4257 2.4257 3.6671 4.3968 3.6671
H6 3.1989 1.4915 4.3968 3.6671 3.6671 2.4257 2.4257
H7 3.1989 1.4915 3.6671 3.6671 4.3968 2.4257 2.4257
H8 3.1989 1.4915 3.6671 4.3968 3.6671 2.4257 2.4257
Maximum atom distance is 4.3968Å 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 110.123 Si1 Si2 H7 110.123
Si1 Si2 H8 110.123 Si2 Si1 H3 110.123
Si2 Si1 H4 110.123 Si2 Si1 H5 110.123
H3 Si1 H4 108.811 H3 Si1 H5 108.811
H4 Si1 H5 108.811 H6 Si2 H7 108.811
H6 Si2 H8 108.811 H7 Si2 H8 108.811

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