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Geometry for Si3H8 (trisilane) 1A1 C2V

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

B3LYPultrafine/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8896   0.8896 0.0000 0.0000
Si2 0.0000 1.9537 -0.4188   -0.4188 0.0000 1.9537
Si3 0.0000 -1.9537 -0.4188   -0.4188 0.0000 -1.9537
H4 1.1993 0.0000 1.7674   1.7674 1.1993 0.0000
H5 -1.1993 0.0000 1.7674   1.7674 -1.1993 0.0000
H6 0.0000 3.1631 0.4396   0.4396 0.0000 3.1631
H7 0.0000 -3.1631 0.4396   0.4396 0.0000 -3.1631
H8 1.2030 1.9901 -1.2853   -1.2853 1.2030 1.9901
H9 -1.2030 1.9901 -1.2853   -1.2853 -1.2030 1.9901
H10 -1.2030 -1.9901 -1.2853   -1.2853 -1.2030 -1.9901
H11 1.2030 -1.9901 -1.2853   -1.2853 1.2030 -1.9901
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3514 2.3514 1.4862 1.4862 3.1949 3.1949 3.1839 3.1839 3.1839 3.1839
Si2 2.3514 3.9075 3.1678 3.1678 1.4830 5.1883 1.4830 1.4830 4.2132 4.2132
Si3 2.3514 3.9075 3.1678 3.1678 5.1883 1.4830 4.2132 4.2132 1.4830 1.4830
H4 1.4862 3.1678 3.1678 2.3986 3.6341 3.6341 3.6440 4.3646 4.3646 3.6440
H5 1.4862 3.1678 3.1678 2.3986 3.6341 3.6341 4.3646 3.6440 3.6440 4.3646
H6 3.1949 1.4830 5.1883 3.6341 3.6341 6.3261 2.4079 2.4079 5.5657 5.5657
H7 3.1949 5.1883 1.4830 3.6341 3.6341 6.3261 5.5657 5.5657 2.4079 2.4079
H8 3.1839 1.4830 4.2132 3.6440 4.3646 2.4079 5.5657 2.4060 4.6508 3.9801
H9 3.1839 1.4830 4.2132 4.3646 3.6440 2.4079 5.5657 2.4060 3.9801 4.6508
H10 3.1839 4.2132 1.4830 4.3646 3.6440 5.5657 2.4079 4.6508 3.9801 2.4060
H11 3.1839 4.2132 1.4830 3.6440 4.3646 5.5657 2.4079 3.9801 4.6508 2.4060
Maximum atom distance is 6.3261Å 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 112.380
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 110.823 S1 S2 H8 110.209
S1 S2 H9 110.209 S1 S3 H7 110.823
S1 S3 H10 110.209 S1 S3 H11 110.209
S2 S1 H4 109.187 S2 S1 H5 109.187
S3 S1 H4 109.187 S3 S1 H5 109.187
H4 S1 H5 107.596 H6 S2 H8 108.554
H6 S2 H9 108.554 H7 S3 H10 108.554
H7 S3 H11 108.554 H8 S2 H9 108.428
H10 S3 H11 108.428

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