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Geometry for Si3H8 (trisilane) 1A1 C2V

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

B3PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.9034   0.9034 0.0000 0.0000
Si2 0.0000 1.9447 -0.4245   -0.4245 0.0000 1.9447
Si3 0.0000 -1.9447 -0.4245   -0.4245 0.0000 -1.9447
H4 1.2133 0.0000 1.7872   1.7872 1.2133 0.0000
H5 -1.2133 0.0000 1.7872   1.7872 -1.2133 0.0000
H6 0.0000 3.1753 0.4304   0.4304 0.0000 3.1753
H7 0.0000 -3.1753 0.4304   0.4304 0.0000 -3.1753
H8 1.2162 1.9682 -1.2993   -1.2993 1.2162 1.9682
H9 -1.2162 1.9682 -1.2993   -1.2993 -1.2162 1.9682
H10 -1.2162 -1.9682 -1.2993   -1.2993 -1.2162 -1.9682
H11 1.2162 -1.9682 -1.2993   -1.2993 1.2162 -1.9682
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3548 2.3548 1.5011 1.5011 3.2103 3.2103 3.1945 3.1945 3.1945 3.1945
Si2 2.3548 3.8894 3.1852 3.1852 1.4984 5.1908 1.4983 1.4983 4.1899 4.1899
Si3 2.3548 3.8894 3.1852 3.1852 5.1908 1.4984 4.1899 4.1899 1.4983 1.4983
H4 1.5011 3.1852 3.1852 2.4266 3.6600 3.6600 3.6607 4.3935 4.3935 3.6607
H5 1.5011 3.1852 3.1852 2.4266 3.6600 3.6600 4.3935 3.6607 3.6607 4.3935
H6 3.2103 1.4984 5.1908 3.6600 3.6600 6.3505 2.4348 2.4348 5.5611 5.5611
H7 3.2103 5.1908 1.4984 3.6600 3.6600 6.3505 5.5611 5.5611 2.4348 2.4348
H8 3.1945 1.4983 4.1899 3.6607 4.3935 2.4348 5.5611 2.4324 4.6272 3.9364
H9 3.1945 1.4983 4.1899 4.3935 3.6607 2.4348 5.5611 2.4324 3.9364 4.6272
H10 3.1945 4.1899 1.4983 4.3935 3.6607 5.5611 2.4348 4.6272 3.9364 2.4324
H11 3.1945 4.1899 1.4983 3.6607 4.3935 5.5611 2.4348 3.9364 4.6272 2.4324
Maximum atom distance is 6.3505Å 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 111.346
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 110.885 S1 S2 H8 110.011
S1 S2 H9 110.011 S1 S3 H7 110.885
S1 S3 H10 110.011 S1 S3 H11 110.011
S2 S1 H4 109.391 S2 S1 H5 109.391
S3 S1 H4 109.391 S3 S1 H5 109.391
H4 S1 H5 107.860 H6 S2 H8 108.678
H6 S2 H9 108.678 H7 S3 H10 108.678
H7 S3 H11 108.678 H8 S2 H9 108.523
H10 S3 H11 108.523

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