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Geometry for Si2H2 (disilyne) 1A1 C2V

1910171554
InChI=1S/H4Si2/c1-2/h1-2H INChIKey=

B3LYPultrafine/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 1.1107 -0.0518   1.1107 0.0000 -0.0518
Si2 0.0000 -1.1107 -0.0518   -1.1107 0.0000 -0.0518
H3 0.9930 0.0000 0.7250   0.0000 0.9930 0.7250
H4 -0.9930 0.0000 0.7250   0.0000 -0.9930 0.7250
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4
Si1 2.2214 1.6802 1.6802
Si2 2.2214 1.6802 1.6802
H3 1.6802 1.6802 1.9859
H4 1.6802 1.6802 1.9859
Maximum atom distance is 2.2214Å between atoms Si1 and Si2.
picture of disilyne
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 H4 48.619 Si2 Si1 H3 48.619

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