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Geometry for Si3H8 (trisilane) 1A1 C2V

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

mPW1PW91/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8916   0.8916 0.0000 0.0000
Si2 0.0000 1.9604 -0.4196   -0.4196 0.0000 1.9604
Si3 0.0000 -1.9604 -0.4196   -0.4196 0.0000 -1.9604
H4 1.2109 0.0000 1.7843   1.7843 1.2109 0.0000
H5 -1.2109 0.0000 1.7843   1.7843 -1.2109 0.0000
H6 0.0000 3.1861 0.4483   0.4483 0.0000 3.1861
H7 0.0000 -3.1861 0.4483   0.4483 0.0000 -3.1861
H8 1.2167 2.0010 -1.2996   -1.2996 1.2167 2.0010
H9 -1.2167 2.0010 -1.2996   -1.2996 -1.2167 2.0010
H10 -1.2167 -2.0010 -1.2996   -1.2996 -1.2167 -2.0010
H11 1.2167 -2.0010 -1.2996   -1.2996 1.2167 -2.0010
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3584 2.3584 1.5044 1.5044 3.2167 3.2167 3.2071 3.2071 3.2071 3.2071
Si2 2.3584 3.9207 3.1885 3.1885 1.5019 5.2191 1.5021 1.5021 4.2364 4.2364
Si3 2.3584 3.9207 3.1885 3.1885 5.2191 1.5019 4.2364 4.2364 1.5021 1.5021
H4 1.5044 3.1885 3.1885 2.4218 3.6609 3.6609 3.6762 4.4054 4.4054 3.6762
H5 1.5044 3.1885 3.1885 2.4218 3.6609 3.6609 4.4054 3.6762 3.6762 4.4054
H6 3.2167 1.5019 5.2191 3.6609 3.6609 6.3721 2.4372 2.4372 5.6072 5.6072
H7 3.2167 5.2191 1.5019 3.6609 3.6609 6.3721 5.6072 5.6072 2.4372 2.4372
H8 3.2071 1.5021 4.2364 3.6762 4.4054 2.4372 5.6072 2.4335 4.6837 4.0019
H9 3.2071 1.5021 4.2364 4.4054 3.6762 2.4372 5.6072 2.4335 4.0019 4.6837
H10 3.2071 4.2364 1.5021 4.4054 3.6762 5.6072 2.4372 4.6837 4.0019 2.4335
H11 3.2071 4.2364 1.5021 3.6762 4.4054 5.6072 2.4372 4.0019 4.6837 2.4335
Maximum atom distance is 6.3721Å 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 112.447
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 110.921 S1 S2 H8 110.373
S1 S2 H9 110.373 S1 S3 H7 110.921
S1 S3 H10 110.373 S1 S3 H11 110.373
S2 S1 H4 109.264 S2 S1 H5 109.264
S3 S1 H4 109.264 S3 S1 H5 109.264
H4 S1 H5 107.198 H6 S2 H8 108.450
H6 S2 H9 108.450 H7 S3 H10 108.450
H7 S3 H11 108.450 H8 S2 H9 108.193
H10 S3 H11 108.193

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