return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

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

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

PBE1PBE/6-311G*


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 1.7456 0.0000   -0.0588 -1.7446 0.0000
Si3 -1.5117 -0.8728 0.0000   1.5403 0.8213 0.0000
Si4 1.5117 -0.8728 0.0000   -1.4815 0.9233 0.0000
H5 -1.4226 2.1882 0.0000   1.3480 -2.2350 0.0000
H6 -1.1838 -2.3261 0.0000   1.2615 2.2849 0.0000
H7 2.6064 0.1379 0.0000   -2.6095 -0.0499 0.0000
H8 0.6802 2.2971 1.2048   -0.7573 -2.2729 1.2048
H9 0.6802 2.2971 -1.2048   -0.7573 -2.2729 -1.2048
H10 -2.3294 -0.5595 1.2048   2.3470 0.4806 1.2048
H11 -2.3294 -0.5595 -1.2048   2.3470 0.4806 -1.2048
H12 1.6492 -1.7376 1.2048   -1.5897 1.7922 1.2048
H13 1.6492 -1.7376 -1.2048   -1.5897 1.7922 -1.2048
Atom - Atom Distances (Å)
  N1 Si2 Si3 Si4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.7456 1.7456 1.7456 2.6100 2.6100 2.6100 2.6816 2.6816 2.6816 2.6816 2.6816 2.6816
Si2 1.7456 3.0235 3.0235 1.4898 4.2403 3.0623 1.4894 1.4894 3.4916 3.4916 4.0379 4.0379
Si3 1.7456 3.0235 3.0235 3.0623 1.4898 4.2403 4.0379 4.0379 1.4894 1.4894 3.4916 3.4916
Si4 1.7456 3.0235 3.0235 4.2403 3.0623 1.4898 3.4916 3.4916 4.0379 4.0379 1.4894 1.4894
H5 2.6100 1.4898 3.0623 4.2403 4.5206 4.5206 2.4259 2.4259 3.1343 3.1343 5.1284 5.1284
H6 2.6100 4.2403 1.4898 3.0623 4.5206 4.5206 5.1284 5.1284 2.4259 2.4259 3.1343 3.1343
H7 2.6100 3.0623 4.2403 1.4898 4.5206 4.5206 3.1343 3.1343 5.1284 5.1284 2.4259 2.4259
H8 2.6816 1.4894 4.0379 3.4916 2.4259 5.1284 3.1343 2.4096 4.1495 4.7984 4.1495 4.7984
H9 2.6816 1.4894 4.0379 3.4916 2.4259 5.1284 3.1343 2.4096 4.7984 4.1495 4.7984 4.1495
H10 2.6816 3.4916 1.4894 4.0379 3.1343 2.4259 5.1284 4.1495 4.7984 2.4096 4.1495 4.7984
H11 2.6816 3.4916 1.4894 4.0379 3.1343 2.4259 5.1284 4.7984 4.1495 2.4096 4.7984 4.1495
H12 2.6816 4.0379 3.4916 1.4894 5.1284 3.1343 2.4259 4.1495 4.7984 4.1495 4.7984 2.4096
H13 2.6816 4.0379 3.4916 1.4894 5.1284 3.1343 2.4259 4.7984 4.1495 4.7984 4.1495 2.4096
Maximum atom distance is 5.1284Å between atoms H6 and H8.
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 107.284 N1 Si2 H8 111.732
N1 Si2 H9 111.732 N1 Si3 H6 107.284
N1 Si3 H10 111.732 N1 Si3 H11 111.732
N1 Si4 H7 107.284 N1 Si4 H12 111.732
N1 Si4 H13 111.732 H5 Si2 H8 109.030
H5 Si2 H9 109.030 H6 Si3 H10 109.030
H6 Si3 H11 109.030 H7 Si4 H12 109.030
H7 Si4 H13 109.030 H8 Si2 H9 107.979
H10 Si3 H11 107.979 H12 Si4 H13 107.979

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