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Geometry for Si3H8 (trisilane) 1A1 C2V

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

MP2/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.9387   0.9387 0.0000 0.0000
Si2 0.0000 1.9536 -0.4388   -0.4388 0.0000 1.9536
Si3 0.0000 -1.9536 -0.4388   -0.4388 0.0000 -1.9536
H4 1.2240 0.0000 1.8097   1.8097 1.2240 0.0000
H5 -1.2240 0.0000 1.8097   1.8097 -1.2240 0.0000
H6 0.0000 3.2041 0.3900   0.3900 0.0000 3.2041
H7 0.0000 -3.2041 0.3900   0.3900 0.0000 -3.2041
H8 1.2190 1.9384 -1.3137   -1.3137 1.2190 1.9384
H9 -1.2190 1.9384 -1.3137   -1.3137 -1.2190 1.9384
H10 -1.2190 -1.9384 -1.3137   -1.3137 -1.2190 -1.9384
H11 1.2190 -1.9384 -1.3137   -1.3137 1.2190 -1.9384
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3904 2.3904 1.5023 1.5023 3.2508 3.2508 3.2119 3.2119 3.2119 3.2119
Si2 2.3904 3.9072 3.2203 3.2203 1.5002 5.2239 1.5006 1.5006 4.1712 4.1712
Si3 2.3904 3.9072 3.2203 3.2203 5.2239 1.5002 4.1712 4.1712 1.5006 1.5006
H4 1.5023 3.2203 3.2203 2.4480 3.7122 3.7122 3.6760 4.4137 4.4137 3.6760
H5 1.5023 3.2203 3.2203 2.4480 3.7122 3.7122 4.4137 3.6760 3.6760 4.4137
H6 3.2508 1.5002 5.2239 3.7122 3.7122 6.4083 2.4476 2.4476 5.5528 5.5528
H7 3.2508 5.2239 1.5002 3.7122 3.7122 6.4083 5.5528 5.5528 2.4476 2.4476
H8 3.2119 1.5006 4.1712 3.6760 4.4137 2.4476 5.5528 2.4381 4.5797 3.8768
H9 3.2119 1.5006 4.1712 4.4137 3.6760 2.4476 5.5528 2.4381 3.8768 4.5797
H10 3.2119 4.1712 1.5006 4.4137 3.6760 5.5528 2.4476 4.5797 3.8768 2.4381
H11 3.2119 4.1712 1.5006 3.6760 4.4137 5.5528 2.4476 3.8768 4.5797 2.4381
Maximum atom distance is 6.4083Å 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 109.627
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 111.280 S1 S2 H8 109.128
S1 S2 H9 109.128 S1 S3 H7 111.280
S1 S3 H10 109.128 S1 S3 H11 109.128
S2 S1 H4 109.518 S2 S1 H5 109.518
S3 S1 H4 109.518 S3 S1 H5 109.518
H4 S1 H5 109.126 H6 S2 H8 109.301
H6 S2 H9 109.301 H7 S3 H10 109.301
H7 S3 H11 109.301 H8 S2 H9 108.659
H10 S3 H11 108.659

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