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Geometry for Si2H2 (disilyne) 1AG C2H

1910171554
InChI=1S/H2Si2/c1-2/h1-2H INChIKey=

B2PLYP=FULL/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 1.0657 0.0000   1.0631 0.0749 0.0000
Si2 0.0000 -1.0657 0.0000   -1.0631 -0.0749 0.0000
H3 1.2075 1.9577 0.0000   1.8681 1.3420 0.0000
H4 -1.2075 -1.9577 0.0000   -1.8681 -1.3420 0.0000
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4
Si1 2.1315 1.5012 3.2557
Si2 2.1315 3.2557 1.5012
H3 1.5012 3.2557 4.6003
H4 3.2557 1.5012 4.6003
Maximum atom distance is 4.6003Å between atoms H3 and H4.
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 126.454 Si2 Si1 H3 126.454

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