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Geometry for Si2H6 (disilane) 1A1g D3D

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

PBE1PBE/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 1.1716   1.1716 0.0000 0.0000
Si2 0.0000 0.0000 -1.1716   -1.1716 0.0000 0.0000
H3 0.0000 1.3968 1.6915   1.6915 1.3968 0.0000
H4 -1.2097 -0.6984 1.6915   1.6915 -0.6984 -1.2097
H5 1.2097 -0.6984 1.6915   1.6915 -0.6984 1.2097
H6 0.0000 -1.3968 -1.6915   -1.6915 -1.3968 0.0000
H7 -1.2097 0.6984 -1.6915   -1.6915 0.6984 -1.2097
H8 1.2097 0.6984 -1.6915   -1.6915 0.6984 1.2097
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3432 1.4904 1.4904 1.4904 3.1857 3.1857 3.1857
Si2 2.3432 3.1857 3.1857 3.1857 1.4904 1.4904 1.4904
H3 1.4904 3.1857 2.4194 2.4194 4.3874 3.6600 3.6600
H4 1.4904 3.1857 2.4194 2.4194 3.6600 3.6600 4.3874
H5 1.4904 3.1857 2.4194 2.4194 3.6600 4.3874 3.6600
H6 3.1857 1.4904 4.3874 3.6600 3.6600 2.4194 2.4194
H7 3.1857 1.4904 3.6600 3.6600 4.3874 2.4194 2.4194
H8 3.1857 1.4904 3.6600 4.3874 3.6600 2.4194 2.4194
Maximum atom distance is 4.3874Å 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 110.415 Si1 Si2 H7 110.415
Si1 Si2 H8 110.415 Si2 Si1 H3 110.415
Si2 Si1 H4 110.415 Si2 Si1 H5 110.415
H3 Si1 H4 108.512 H3 Si1 H5 108.512
H4 Si1 H5 108.511 H6 Si2 H7 108.512
H6 Si2 H8 108.512 H7 Si2 H8 108.511

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