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Geometry for Si2H6 (disilane) 1A1g D3D

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

mPW1PW91/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 1.1739   1.1739 0.0000 0.0000
Si2 0.0000 0.0000 -1.1739   -1.1739 0.0000 0.0000
H3 0.0000 1.3983 1.6919   1.6919 1.3365 0.4112
H4 -1.2110 -0.6991 1.6919   1.6919 -0.3121 -1.3630
H5 1.2110 -0.6991 1.6919   1.6919 -1.0244 0.9518
H6 0.0000 -1.3983 -1.6919   -1.6919 -1.3365 -0.4112
H7 -1.2110 0.6991 -1.6919   -1.6919 1.0244 -0.9518
H8 1.2110 0.6991 -1.6919   -1.6919 0.3121 1.3630
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3477 1.4912 1.4912 1.4912 3.1887 3.1887 3.1887
Si2 2.3477 3.1887 3.1887 3.1887 1.4912 1.4912 1.4912
H3 1.4912 3.1887 2.4219 2.4219 4.3899 3.6613 3.6613
H4 1.4912 3.1887 2.4219 2.4219 3.6613 3.6613 4.3899
H5 1.4912 3.1887 2.4219 2.4219 3.6613 4.3899 3.6613
H6 3.1887 1.4912 4.3899 3.6613 3.6613 2.4219 2.4219
H7 3.1887 1.4912 3.6613 3.6613 4.3899 2.4219 2.4219
H8 3.1887 1.4912 3.6613 4.3899 3.6613 2.4219 2.4219
Maximum atom distance is 4.3899Å 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 110.328 Si1 Si2 H7 110.328
Si1 Si2 H8 110.328 Si2 Si1 H3 110.328
Si2 Si1 H4 110.328 Si2 Si1 H5 110.328
H3 Si1 H4 108.601 H3 Si1 H5 108.601
H4 Si1 H5 108.601 H6 Si2 H7 108.601
H6 Si2 H8 108.601 H7 Si2 H8 108.601

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