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Geometry for N(SiH3)3 (trisilylamine) 1A' C3H

1910171554
InChI=1S/H9NSi3/c2-1(3)4/h2-4H3 INChIKey=

B2PLYP=FULL/aug-cc-pVTZ


Point group is C3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
Si2 0.0000 1.7442 0.0000   1.7440 0.0290 0.0000
Si3 -1.5105 -0.8721 0.0000   -0.8469 -1.5248 0.0000
Si4 1.5105 -0.8721 0.0000   -0.8971 1.4958 0.0000
H5 -1.4130 2.1872 0.0000   2.2104 -1.3764 0.0000
H6 -1.1877 -2.3173 0.0000   -2.2972 -1.2260 0.0000
H7 2.6007 0.1301 0.0000   0.0868 2.6025 0.0000
H8 0.6799 2.2858 1.1982   2.2742 0.7177 1.1982
H9 0.6799 2.2858 -1.1982   2.2742 0.7177 -1.1982
H10 -2.3195 -0.5541 1.1982   -0.5155 -2.3284 1.1982
H11 -2.3195 -0.5541 -1.1982   -0.5155 -2.3284 -1.1982
H12 1.6396 -1.7317 1.1982   -1.7587 1.6106 1.1982
H13 1.6396 -1.7317 -1.1982   -1.7587 1.6106 -1.1982
Atom - Atom Distances (Å)
  N1 Si2 Si3 Si4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.7442 1.7442 1.7442 2.6039 2.6039 2.6039 2.6689 2.6689 2.6689 2.6689 2.6689 2.6689
Si2 1.7442 3.0211 3.0211 1.4808 4.2316 3.0609 1.4803 1.4803 3.4782 3.4782 4.0257 4.0257
Si3 1.7442 3.0211 3.0211 3.0609 1.4808 4.2316 4.0257 4.0257 1.4803 1.4803 3.4782 3.4782
Si4 1.7442 3.0211 3.0211 4.2316 3.0609 1.4808 3.4782 3.4782 4.0257 4.0257 1.4803 1.4803
H5 2.6039 1.4808 3.0609 4.2316 4.5101 4.5101 2.4136 2.4136 3.1261 3.1261 5.1100 5.1100
H6 2.6039 4.2316 1.4808 3.0609 4.5101 4.5101 5.1100 5.1100 2.4136 2.4136 3.1261 3.1261
H7 2.6039 3.0609 4.2316 1.4808 4.5101 4.5101 3.1261 3.1261 5.1100 5.1100 2.4136 2.4136
H8 2.6689 1.4803 4.0257 3.4782 2.4136 5.1100 3.1261 2.3965 4.1305 4.7754 4.1305 4.7754
H9 2.6689 1.4803 4.0257 3.4782 2.4136 5.1100 3.1261 2.3965 4.7754 4.1305 4.7754 4.1305
H10 2.6689 3.4782 1.4803 4.0257 3.1261 2.4136 5.1100 4.1305 4.7754 2.3965 4.1305 4.7754
H11 2.6689 3.4782 1.4803 4.0257 3.1261 2.4136 5.1100 4.7754 4.1305 2.3965 4.7754 4.1305
H12 2.6689 4.0257 3.4782 1.4803 5.1100 3.1261 2.4136 4.1305 4.7754 4.1305 4.7754 2.3965
H13 2.6689 4.0257 3.4782 1.4803 5.1100 3.1261 2.4136 4.7754 4.1305 4.7754 4.1305 2.3965
Maximum atom distance is 5.1100Å between atoms H5 and H12.
picture of trisilylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si2 N1 Si3 120.000 Si2 N1 Si4 120.000
Si3 N1 Si4 120.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 Si2 H5 107.407 N1 Si2 H8 111.460
N1 Si2 H9 111.460 N1 Si3 H6 107.407
N1 Si3 H10 111.460 N1 Si3 H11 111.460
N1 Si4 H7 107.407 N1 Si4 H12 111.460
N1 Si4 H13 111.460 H5 Si2 H8 109.195
H5 Si2 H9 109.195 H6 Si3 H10 109.195
H6 Si3 H11 109.195 H7 Si4 H12 109.195
H7 Si4 H13 109.195 H8 Si2 H9 108.086
H10 Si3 H11 108.086 H12 Si4 H13 108.086

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