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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for N(SiH3)3 (trisilylamine)
1A' C3H
1910171554
InChI=1S/H9NSi3/c2-1(3)4/h2-4H3 INChIKey=
MP2/LANL2DZ
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 |
1.7884 |
0.0000 |
|
0.1425 |
-1.7827 |
0.0000 |
Si3 |
-1.5488 |
-0.8942 |
0.0000 |
|
1.4727 |
1.0147 |
0.0000 |
Si4 |
1.5488 |
-0.8942 |
0.0000 |
|
-1.6151 |
0.7680 |
0.0000 |
H5 |
-1.4181 |
2.2423 |
0.0000 |
|
1.5922 |
-2.1222 |
0.0000 |
H6 |
-1.2328 |
-2.3492 |
0.0000 |
|
1.0417 |
2.4400 |
0.0000 |
H7 |
2.6509 |
0.1070 |
0.0000 |
|
-2.6339 |
-0.3178 |
0.0000 |
H8 |
0.6876 |
2.3344 |
1.2050 |
|
-0.4994 |
-2.3817 |
1.2050 |
H9 |
0.6876 |
2.3344 |
-1.2050 |
|
-0.4994 |
-2.3817 |
-1.2050 |
H10 |
-2.3654 |
-0.5717 |
1.2050 |
|
2.3124 |
0.7583 |
1.2050 |
H11 |
-2.3654 |
-0.5717 |
-1.2050 |
|
2.3124 |
0.7583 |
-1.2050 |
H12 |
1.6778 |
-1.7627 |
1.2050 |
|
-1.8129 |
1.6234 |
1.2050 |
H13 |
1.6778 |
-1.7627 |
-1.2050 |
|
-1.8129 |
1.6234 |
-1.2050 |
Atom - Atom Distances (Å)
|
N1 |
Si2 |
Si3 |
Si4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
N1 |
| 1.7884 |
1.7884 |
1.7884 |
2.6530 |
2.6530 |
2.6530 |
2.7155 |
2.7155 |
2.7155 |
2.7155 |
2.7155 |
2.7155 |
Si2 |
1.7884 |
| 3.0976 |
3.0976 |
1.4889 |
4.3174 |
3.1392 |
1.4909 |
1.4909 |
3.5521 |
3.5521 |
4.1082 |
4.1082 |
Si3 |
1.7884 |
3.0976 |
| 3.0976 |
3.1392 |
1.4889 |
4.3174 |
4.1082 |
4.1082 |
1.4909 |
1.4909 |
3.5521 |
3.5521 |
Si4 |
1.7884 |
3.0976 |
3.0976 |
| 4.3174 |
3.1392 |
1.4889 |
3.5521 |
3.5521 |
4.1082 |
4.1082 |
1.4909 |
1.4909 |
H5 |
2.6530 |
1.4889 |
3.1392 |
4.3174 |
| 4.5952 |
4.5952 |
2.4278 |
2.4278 |
3.2043 |
3.2043 |
5.2035 |
5.2035 |
H6 |
2.6530 |
4.3174 |
1.4889 |
3.1392 |
4.5952 |
| 4.5952 |
5.2035 |
5.2035 |
2.4278 |
2.4278 |
3.2043 |
3.2043 |
H7 |
2.6530 |
3.1392 |
4.3174 |
1.4889 |
4.5952 |
4.5952 |
| 3.2043 |
3.2043 |
5.2035 |
5.2035 |
2.4278 |
2.4278 |
H8 |
2.7155 |
1.4909 |
4.1082 |
3.5521 |
2.4278 |
5.2035 |
3.2043 |
| 2.4099 |
4.2150 |
4.8553 |
4.2150 |
4.8553 |
H9 |
2.7155 |
1.4909 |
4.1082 |
3.5521 |
2.4278 |
5.2035 |
3.2043 |
2.4099 |
| 4.8553 |
4.2150 |
4.8553 |
4.2150 |
H10 |
2.7155 |
3.5521 |
1.4909 |
4.1082 |
3.2043 |
2.4278 |
5.2035 |
4.2150 |
4.8553 |
| 2.4099 |
4.2150 |
4.8553 |
H11 |
2.7155 |
3.5521 |
1.4909 |
4.1082 |
3.2043 |
2.4278 |
5.2035 |
4.8553 |
4.2150 |
2.4099 |
| 4.8553 |
4.2150 |
H12 |
2.7155 |
4.1082 |
3.5521 |
1.4909 |
5.2035 |
3.2043 |
2.4278 |
4.2150 |
4.8553 |
4.2150 |
4.8553 |
| 2.4099 |
H13 |
2.7155 |
4.1082 |
3.5521 |
1.4909 |
5.2035 |
3.2043 |
2.4278 |
4.8553 |
4.2150 |
4.8553 |
4.2150 |
2.4099 |
|
Maximum atom distance is 5.2035Å
between atoms H7 and H10.
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 |
107.747 |
|
N1 |
Si2 |
H8 |
111.481 |
N1 |
Si2 |
H9 |
111.481 |
|
N1 |
Si3 |
H6 |
107.747 |
N1 |
Si3 |
H10 |
111.481 |
|
N1 |
Si3 |
H11 |
111.481 |
N1 |
Si4 |
H7 |
107.747 |
|
N1 |
Si4 |
H12 |
111.481 |
N1 |
Si4 |
H13 |
111.481 |
|
H5 |
Si2 |
H8 |
109.125 |
H5 |
Si2 |
H9 |
109.125 |
|
H6 |
Si3 |
H10 |
109.125 |
H6 |
Si3 |
H11 |
109.125 |
|
H7 |
Si4 |
H12 |
109.125 |
H7 |
Si4 |
H13 |
109.125 |
|
H8 |
Si2 |
H9 |
107.842 |
H10 |
Si3 |
H11 |
107.842 |
|
H12 |
Si4 |
H13 |
107.842 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.