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Geometry for Si3H8 (trisilane) 1A1 C2V

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

mPW1PW91/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8305   0.0000 0.8305 0.0000
Si2 0.0000 1.8838 -0.3916   1.8838 -0.3916 0.0000
Si3 0.0000 -1.8838 -0.3916   -1.8838 -0.3916 0.0000
H4 1.1547 0.0000 1.6983   0.0000 1.6983 1.1547
H5 -1.1547 0.0000 1.6983   0.0000 1.6983 -1.1547
H6 0.0000 3.0538 0.4530   3.0538 0.4530 0.0000
H7 0.0000 -3.0538 0.4530   -3.0538 0.4530 0.0000
H8 1.1641 1.9558 -1.2414   1.9558 -1.2414 1.1641
H9 -1.1641 1.9558 -1.2414   1.9558 -1.2414 -1.1641
H10 -1.1641 -1.9558 -1.2414   -1.9558 -1.2414 -1.1641
H11 1.1641 -1.9558 -1.2414   -1.9558 -1.2414 1.1641
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.2455 2.2455 1.4444 1.4444 3.0770 3.0770 3.0778 3.0778 3.0778 3.0778
Si2 2.2455 3.7676 3.0413 3.0413 1.4430 5.0093 1.4431 1.4431 4.1012 4.1012
Si3 2.2455 3.7676 3.0413 3.0413 5.0093 1.4430 4.1012 4.1012 1.4431 1.4431
H4 1.4444 3.0413 3.0413 2.3095 3.4943 3.4943 3.5308 4.2242 4.2242 3.5308
H5 1.4444 3.0413 3.0413 2.3095 3.4943 3.4943 4.2242 3.5308 3.5308 4.2242
H6 3.0770 1.4430 5.0093 3.4943 3.4943 6.1076 2.3305 2.3305 5.4150 5.4150
H7 3.0770 5.0093 1.4430 3.4943 3.4943 6.1076 5.4150 5.4150 2.3305 2.3305
H8 3.0778 1.4431 4.1012 3.5308 4.2242 2.3305 5.4150 2.3282 4.5521 3.9117
H9 3.0778 1.4431 4.1012 4.2242 3.5308 2.3305 5.4150 2.3282 3.9117 4.5521
H10 3.0778 4.1012 1.4431 4.2242 3.5308 5.4150 2.3305 4.5521 3.9117 2.3282
H11 3.0778 4.1012 1.4431 3.5308 4.2242 5.4150 2.3305 3.9117 4.5521 2.3282
Maximum atom distance is 6.1076Å 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 114.054
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 111.204 S1 S2 H8 111.246
S1 S2 H9 111.246 S1 S3 H7 111.204
S1 S3 H10 111.246 S1 S3 H11 111.246
S2 S1 H4 109.084 S2 S1 H5 109.084
S3 S1 H4 109.084 S3 S1 H5 109.084
H4 S1 H5 106.153 H6 S2 H8 107.708
H6 S2 H9 107.708 H7 S3 H10 107.708
H7 S3 H11 107.708 H8 S2 H9 107.546
H10 S3 H11 107.546

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