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Geometry for Si2H6 (disilane) 1A1g D3D

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1773   0.0000 -1.1773 0.0000
Si2 0.0000 0.0000 -1.1773   0.0000 1.1773 -0.0000
H3 0.0000 1.3922 1.6967   1.3922 -1.6967 0.0000
H4 -1.2057 -0.6961 1.6967   -0.6961 -1.6967 1.2057
H5 1.2057 -0.6961 1.6967   -0.6961 -1.6967 -1.2057
H6 0.0000 -1.3922 -1.6967   -1.3922 1.6967 -0.0000
H7 -1.2057 0.6961 -1.6967   0.6961 1.6967 1.2057
H8 1.2057 0.6961 -1.6967   0.6961 1.6967 -1.2057
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3545 1.4859 1.4859 1.4859 3.1934 3.1934 3.1934
Si2 2.3545 3.1934 3.1934 3.1934 1.4859 1.4859 1.4859
H3 1.4859 3.1934 2.4113 2.4113 4.3895 3.6679 3.6679
H4 1.4859 3.1934 2.4113 2.4113 3.6679 3.6679 4.3895
H5 1.4859 3.1934 2.4113 2.4113 3.6679 4.3895 3.6679
H6 3.1934 1.4859 4.3895 3.6679 3.6679 2.4113 2.4113
H7 3.1934 1.4859 3.6679 3.6679 4.3895 2.4113 2.4113
H8 3.1934 1.4859 3.6679 4.3895 3.6679 2.4113 2.4113
Maximum atom distance is 4.3895Å 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 110.461 Si1 Si2 H7 110.461
Si1 Si2 H8 110.461 Si2 Si1 H3 110.461
Si2 Si1 H4 110.461 Si2 Si1 H5 110.461
H3 Si1 H4 108.464 H3 Si1 H5 108.464
H4 Si1 H5 108.464 H6 Si2 H7 108.464
H6 Si2 H8 108.464 H7 Si2 H8 108.464

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