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Geometry for Si2H6 (disilane) 1A1g D3D

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

mPW1PW91/6-31G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1695   1.1695 0.0000 0.0000
Si2 0.0000 0.0000 -1.1695   -1.1695 0.0000 0.0000
H3 0.0000 1.3939 1.6917   1.6917 1.3939 0.0000
H4 -1.2071 -0.6969 1.6917   1.6917 -0.6969 -1.2071
H5 1.2071 -0.6969 1.6917   1.6917 -0.6969 1.2071
H6 0.0000 -1.3939 -1.6917   -1.6917 -1.3939 0.0000
H7 -1.2071 0.6969 -1.6917   -1.6917 0.6969 -1.2071
H8 1.2071 0.6969 -1.6917   -1.6917 0.6969 1.2071
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3390 1.4885 1.4885 1.4885 3.1827 3.1827 3.1827
Si2 2.3390 3.1827 3.1827 3.1827 1.4885 1.4885 1.4885
H3 1.4885 3.1827 2.4143 2.4143 4.3840 3.6594 3.6594
H4 1.4885 3.1827 2.4143 2.4143 3.6594 3.6594 4.3840
H5 1.4885 3.1827 2.4143 2.4143 3.6594 4.3840 3.6594
H6 3.1827 1.4885 4.3840 3.6594 3.6594 2.4143 2.4143
H7 3.1827 1.4885 3.6594 3.6594 4.3840 2.4143 2.4143
H8 3.1827 1.4885 3.6594 4.3840 3.6594 2.4143 2.4143
Maximum atom distance is 4.3840Å 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 110.540 Si1 Si2 H7 110.540
Si1 Si2 H8 110.540 Si2 Si1 H3 110.540
Si2 Si1 H4 110.540 Si2 Si1 H5 110.540
H3 Si1 H4 108.381 H3 Si1 H5 108.381
H4 Si1 H5 108.381 H6 Si2 H7 108.381
H6 Si2 H8 108.381 H7 Si2 H8 108.381

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