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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/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 0.8930   0.8930 0.0000 0.0000
Si2 0.0000 1.9793 -0.4207   -0.4207 0.0000 1.9793
Si3 0.0000 -1.9793 -0.4207   -0.4207 0.0000 -1.9793
H4 1.2132 0.0000 1.7844   1.7844 1.2132 0.0000
H5 -1.2132 0.0000 1.7844   1.7844 -1.2132 0.0000
H6 0.0000 3.2003 0.4547   0.4547 0.0000 3.2003
H7 0.0000 -3.2003 0.4547   0.4547 0.0000 -3.2003
H8 1.2178 2.0214 -1.3002   -1.3002 1.2178 2.0214
H9 -1.2178 2.0214 -1.3002   -1.3002 -1.2178 2.0214
H10 -1.2178 -2.0214 -1.3002   -1.3002 -1.2178 -2.0214
H11 1.2178 -2.0214 -1.3002   -1.3002 1.2178 -2.0214
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3756 2.3756 1.5055 1.5055 3.2301 3.2301 3.2217 3.2217 3.2217 3.2217
Si2 2.3756 3.9586 3.2019 3.2019 1.5024 5.2530 1.5028 1.5028 4.2734 4.2734
Si3 2.3756 3.9586 3.2019 3.2019 5.2530 1.5024 4.2734 4.2734 1.5028 1.5028
H4 1.5055 3.2019 3.2019 2.4264 3.6717 3.6717 3.6880 4.4171 4.4171 3.6880
H5 1.5055 3.2019 3.2019 2.4264 3.6717 3.6717 4.4171 3.6880 3.6880 4.4171
H6 3.2301 1.5024 5.2530 3.6717 3.6717 6.4005 2.4398 2.4398 5.6417 5.6417
H7 3.2301 5.2530 1.5024 3.6717 3.6717 6.4005 5.6417 5.6417 2.4398 2.4398
H8 3.2217 1.5028 4.2734 3.6880 4.4171 2.4398 5.6417 2.4357 4.7198 4.0428
H9 3.2217 1.5028 4.2734 4.4171 3.6880 2.4398 5.6417 2.4357 4.0428 4.7198
H10 3.2217 4.2734 1.5028 4.4171 3.6880 5.6417 2.4398 4.7198 4.0428 2.4357
H11 3.2217 4.2734 1.5028 3.6880 4.4171 5.6417 2.4398 4.0428 4.7198 2.4357
Maximum atom distance is 6.4005Å 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 112.853
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 110.786 S1 S2 H8 110.302
S1 S2 H9 110.302 S1 S3 H7 110.786
S1 S3 H10 110.302 S1 S3 H11 110.302
S2 S1 H4 109.114 S2 S1 H5 109.114
S3 S1 H4 109.114 S3 S1 H5 109.114
H4 S1 H5 107.386 H6 S2 H8 108.557
H6 S2 H9 108.557 H7 S3 H10 108.557
H7 S3 H11 108.557 H8 S2 H9 108.266
H10 S3 H11 108.266

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