return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for Si2H6 (disilane) 1A1g D3D

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

MP2=FULL/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 1.1782   1.1782 0.0000 0.0000
Si2 0.0000 0.0000 -1.1782   -1.1782 0.0000 0.0000
H3 0.0000 1.3975 1.6933   1.6933 1.3975 0.0000
H4 -1.2103 -0.6987 1.6933   1.6933 -0.6987 -1.2103
H5 1.2103 -0.6987 1.6933   1.6933 -0.6987 1.2103
H6 0.0000 -1.3975 -1.6933   -1.6933 -1.3975 0.0000
H7 -1.2103 0.6987 -1.6933   -1.6933 0.6987 -1.2103
H8 1.2103 0.6987 -1.6933   -1.6933 0.6987 1.2103
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3565 1.4894 1.4894 1.4894 3.1935 3.1935 3.1935
Si2 2.3565 3.1935 3.1935 3.1935 1.4894 1.4894 1.4894
H3 1.4894 3.1935 2.4205 2.4205 4.3910 3.6636 3.6636
H4 1.4894 3.1935 2.4205 2.4205 3.6636 3.6636 4.3910
H5 1.4894 3.1935 2.4205 2.4205 3.6636 4.3910 3.6636
H6 3.1935 1.4894 4.3910 3.6636 3.6636 2.4205 2.4205
H7 3.1935 1.4894 3.6636 3.6636 4.3910 2.4205 2.4205
H8 3.1935 1.4894 3.6636 4.3910 3.6636 2.4205 2.4205
Maximum atom distance is 4.3910Å 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 110.232 Si1 Si2 H7 110.232
Si1 Si2 H8 110.232 Si2 Si1 H3 110.232
Si2 Si1 H4 110.232 Si2 Si1 H5 110.232
H3 Si1 H4 108.699 H3 Si1 H5 108.699
H4 Si1 H5 108.699 H6 Si2 H7 108.699
H6 Si2 H8 108.699 H7 Si2 H8 108.699

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