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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


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8953   0.8953 0.0000 0.0000
Si2 0.0000 1.9778 -0.4216   -0.4216 0.0000 1.9778
Si3 0.0000 -1.9778 -0.4216   -0.4216 0.0000 -1.9778
H4 1.2133 0.0000 1.7865   1.7865 1.2133 0.0000
H5 -1.2133 0.0000 1.7865   1.7865 -1.2133 0.0000
H6 0.0000 3.2013 0.4503   0.4503 0.0000 3.2013
H7 0.0000 -3.2013 0.4503   0.4503 0.0000 -3.2013
H8 1.2178 2.0174 -1.3012   -1.3012 1.2178 2.0174
H9 -1.2178 2.0174 -1.3012   -1.3012 -1.2178 2.0174
H10 -1.2178 -2.0174 -1.3012   -1.3012 -1.2178 -2.0174
H11 1.2178 -2.0174 -1.3012   -1.3012 1.2178 -2.0174
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3761 2.3761 1.5054 1.5054 3.2320 3.2320 3.2215 3.2215 3.2215 3.2215
Si2 2.3761 3.9557 3.2031 3.2031 1.5023 5.2520 1.5028 1.5028 4.2684 4.2684
Si3 2.3761 3.9557 3.2031 3.2031 5.2520 1.5023 4.2684 4.2684 1.5028 1.5028
H4 1.5054 3.2031 3.2031 2.4265 3.6750 3.6750 3.6884 4.4175 4.4175 3.6884
H5 1.5054 3.2031 3.2031 2.4265 3.6750 3.6750 4.4175 3.6884 3.6884 4.4175
H6 3.2320 1.5023 5.2520 3.6750 3.6750 6.4025 2.4397 2.4397 5.6379 5.6379
H7 3.2320 5.2520 1.5023 3.6750 3.6750 6.4025 5.6379 5.6379 2.4397 2.4397
H8 3.2215 1.5028 4.2684 3.6884 4.4175 2.4397 5.6379 2.4357 4.7130 4.0349
H9 3.2215 1.5028 4.2684 4.4175 3.6884 2.4397 5.6379 2.4357 4.0349 4.7130
H10 3.2215 4.2684 1.5028 4.4175 3.6884 5.6379 2.4397 4.7130 4.0349 2.4357
H11 3.2215 4.2684 1.5028 3.6884 4.4175 5.6379 2.4397 4.0349 4.7130 2.4357
Maximum atom distance is 6.4025Å 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 112.687
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 110.869 S1 S2 H8 110.264
S1 S2 H9 110.264 S1 S3 H7 110.869
S1 S3 H10 110.264 S1 S3 H11 110.264
S2 S1 H4 109.153 S2 S1 H5 109.153
S3 S1 H4 109.153 S3 S1 H5 109.153
H4 S1 H5 107.401 H6 S2 H8 108.556
H6 S2 H9 108.556 H7 S3 H10 108.556
H7 S3 H11 108.556 H8 S2 H9 108.263
H10 S3 H11 108.263

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