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Geometry for Si3H8 (trisilane) 1A1 C2V

1910171554
InChI=1S/H8Si3/c1-3-2/h3H2,1-2H3 INChIKey=VEDJZFSRVVQBIL-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8999   0.8999 0.0000 0.0000
Si2 0.0000 1.9385 -0.4226   -0.4226 0.0000 1.9385
Si3 0.0000 -1.9385 -0.4226   -0.4226 0.0000 -1.9385
H4 1.1979 0.0000 1.7748   1.7748 1.1979 0.0000
H5 -1.1979 0.0000 1.7748   1.7748 -1.1979 0.0000
H6 0.0000 3.1565 0.4191   0.4191 0.0000 3.1565
H7 0.0000 -3.1565 0.4191   0.4191 0.0000 -3.1565
H8 1.2009 1.9636 -1.2882   -1.2882 1.2009 1.9636
H9 -1.2009 1.9636 -1.2882   -1.2882 -1.2009 1.9636
H10 -1.2009 -1.9636 -1.2882   -1.2882 -1.2009 -1.9636
H11 1.2009 -1.9636 -1.2882   -1.2882 1.2009 -1.9636
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3466 2.3466 1.4834 1.4834 3.1930 3.1930 3.1758 3.1758 3.1758 3.1758
Si2 2.3466 3.8770 3.1656 3.1656 1.4806 5.1641 1.4806 1.4806 4.1735 4.1735
Si3 2.3466 3.8770 3.1656 3.1656 5.1641 1.4806 4.1735 4.1735 1.4806 1.4806
H4 1.4834 3.1656 3.1656 2.3958 3.6382 3.6382 3.6383 4.3580 4.3580 3.6383
H5 1.4834 3.1656 3.1656 2.3958 3.6382 3.6382 4.3580 3.6383 3.6383 4.3580
H6 3.1930 1.4806 5.1641 3.6382 3.6382 6.3131 2.4042 2.4042 5.5293 5.5293
H7 3.1930 5.1641 1.4806 3.6382 3.6382 6.3131 5.5293 5.5293 2.4042 2.4042
H8 3.1758 1.4806 4.1735 3.6383 4.3580 2.4042 5.5293 2.4019 4.6035 3.9272
H9 3.1758 1.4806 4.1735 4.3580 3.6383 2.4042 5.5293 2.4019 3.9272 4.6035
H10 3.1758 4.1735 1.4806 4.3580 3.6383 5.5293 2.4042 4.6035 3.9272 2.4019
H11 3.1758 4.1735 1.4806 3.6383 4.3580 5.5293 2.4042 3.9272 4.6035 2.4019
Maximum atom distance is 6.3131Å between atoms H6 and H7.
picture of trisilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 111.392
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 111.052 S1 S2 H8 110.090
S1 S2 H9 110.090 S1 S3 H7 111.052
S1 S3 H10 110.090 S1 S3 H11 110.090
S2 S1 H4 109.414 S2 S1 H5 109.414
S3 S1 H4 109.414 S3 S1 H5 109.414
H4 S1 H5 107.715 H6 S2 H8 108.564
H6 S2 H9 108.564 H7 S3 H10 108.564
H7 S3 H11 108.564 H8 S2 H9 108.415
H10 S3 H11 108.415

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