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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 Si(CH3)4 (tetramethylsilane)
1A1 TD
1910171554
InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 INChIKey=CZDYPVPMEAXLPK-UHFFFAOYSA-N
HF/CEP-121G*
Point group is Td
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
| C2 |
1.0974 |
1.0974 |
1.0974 |
|
1.0846 |
-1.4722 |
0.4908 |
| C3 |
-1.0974 |
-1.0974 |
1.0974 |
|
1.1102 |
1.4722 |
-0.4908 |
| C4 |
-1.0974 |
1.0974 |
-1.0974 |
|
-1.0846 |
0.4907 |
1.4723 |
| C5 |
1.0974 |
-1.0974 |
-1.0974 |
|
-1.1102 |
-0.4907 |
-1.4723 |
| H6 |
1.7407 |
0.4985 |
1.7407 |
|
1.7204 |
-1.7797 |
-0.3325 |
| H7 |
1.7407 |
1.7407 |
0.4985 |
|
0.4782 |
-2.3353 |
0.7785 |
| H8 |
0.4985 |
1.7407 |
1.7407 |
|
1.7349 |
-1.2243 |
1.3340 |
| H9 |
-1.7407 |
-1.7407 |
0.4985 |
|
0.5188 |
2.3353 |
-0.7785 |
| H10 |
-0.4985 |
-1.7407 |
1.7407 |
|
1.7465 |
1.2243 |
-1.3340 |
| H11 |
-1.7407 |
-0.4985 |
1.7407 |
|
1.7610 |
1.7797 |
0.3325 |
| H12 |
-1.7407 |
0.4985 |
-1.7407 |
|
-1.7204 |
1.3339 |
1.2243 |
| H13 |
-1.7407 |
1.7407 |
-0.4985 |
|
-0.4782 |
0.7784 |
2.3353 |
| H14 |
-0.4985 |
1.7407 |
-1.7407 |
|
-1.7349 |
-0.3326 |
1.7798 |
| H15 |
1.7407 |
-1.7407 |
-0.4985 |
|
-0.5188 |
-0.7784 |
-2.3353 |
| H16 |
0.4985 |
-1.7407 |
-1.7407 |
|
-1.7465 |
0.3326 |
-1.7798 |
| H17 |
1.7407 |
-0.4985 |
-1.7407 |
|
-1.7610 |
-1.3339 |
-1.2243 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.9007 |
1.9007 |
1.9007 |
1.9007 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
2.5117 |
| C2 |
1.9007 |
| 3.1039 |
3.1039 |
3.1039 |
1.0892 |
1.0892 |
1.0892 |
4.0581 |
3.3189 |
3.3189 |
4.0581 |
3.3189 |
3.3189 |
3.3189 |
4.0581 |
3.3189 |
| C3 |
1.9007 |
3.1039 |
| 3.1039 |
3.1039 |
3.3189 |
4.0581 |
3.3189 |
1.0892 |
1.0892 |
1.0892 |
3.3189 |
3.3189 |
4.0581 |
3.3189 |
3.3189 |
4.0581 |
| C4 |
1.9007 |
3.1039 |
3.1039 |
| 3.1039 |
4.0581 |
3.3189 |
3.3189 |
3.3189 |
4.0581 |
3.3189 |
1.0892 |
1.0892 |
1.0892 |
4.0581 |
3.3189 |
3.3189 |
| C5 |
1.9007 |
3.1039 |
3.1039 |
3.1039 |
| 3.3189 |
3.3189 |
4.0581 |
3.3189 |
3.3189 |
4.0581 |
3.3189 |
4.0581 |
3.3189 |
1.0892 |
1.0892 |
1.0892 |
| H6 |
2.5117 |
1.0892 |
3.3189 |
4.0581 |
3.3189 |
| 1.7567 |
1.7567 |
4.3217 |
3.1667 |
3.6213 |
4.9234 |
4.3217 |
4.3217 |
3.1667 |
4.3217 |
3.6213 |
| H7 |
2.5117 |
1.0892 |
4.0581 |
3.3189 |
3.3189 |
1.7567 |
| 1.7567 |
4.9234 |
4.3217 |
4.3217 |
4.3217 |
3.6213 |
3.1667 |
3.6213 |
4.3217 |
3.1667 |
| H8 |
2.5117 |
1.0892 |
3.3189 |
3.3189 |
4.0581 |
1.7567 |
1.7567 |
| 4.3217 |
3.6213 |
3.1667 |
4.3217 |
3.1667 |
3.6213 |
4.3217 |
4.9234 |
4.3217 |
| H9 |
2.5117 |
4.0581 |
1.0892 |
3.3189 |
3.3189 |
4.3217 |
4.9234 |
4.3217 |
| 1.7567 |
1.7567 |
3.1667 |
3.6213 |
4.3217 |
3.6213 |
3.1667 |
4.3217 |
| H10 |
2.5117 |
3.3189 |
1.0892 |
4.0581 |
3.3189 |
3.1667 |
4.3217 |
3.6213 |
1.7567 |
| 1.7567 |
4.3217 |
4.3217 |
4.9234 |
3.1667 |
3.6213 |
4.3217 |
| H11 |
2.5117 |
3.3189 |
1.0892 |
3.3189 |
4.0581 |
3.6213 |
4.3217 |
3.1667 |
1.7567 |
1.7567 |
| 3.6213 |
3.1667 |
4.3217 |
4.3217 |
4.3217 |
4.9234 |
| H12 |
2.5117 |
4.0581 |
3.3189 |
1.0892 |
3.3189 |
4.9234 |
4.3217 |
4.3217 |
3.1667 |
4.3217 |
3.6213 |
| 1.7567 |
1.7567 |
4.3217 |
3.1667 |
3.6213 |
| H13 |
2.5117 |
3.3189 |
3.3189 |
1.0892 |
4.0581 |
4.3217 |
3.6213 |
3.1667 |
3.6213 |
4.3217 |
3.1667 |
1.7567 |
| 1.7567 |
4.9234 |
4.3217 |
4.3217 |
| H14 |
2.5117 |
3.3189 |
4.0581 |
1.0892 |
3.3189 |
4.3217 |
3.1667 |
3.6213 |
4.3217 |
4.9234 |
4.3217 |
1.7567 |
1.7567 |
| 4.3217 |
3.6213 |
3.1667 |
| H15 |
2.5117 |
3.3189 |
3.3189 |
4.0581 |
1.0892 |
3.1667 |
3.6213 |
4.3217 |
3.6213 |
3.1667 |
4.3217 |
4.3217 |
4.9234 |
4.3217 |
| 1.7567 |
1.7567 |
| H16 |
2.5117 |
4.0581 |
3.3189 |
3.3189 |
1.0892 |
4.3217 |
4.3217 |
4.9234 |
3.1667 |
3.6213 |
4.3217 |
3.1667 |
4.3217 |
3.6213 |
1.7567 |
| 1.7567 |
| H17 |
2.5117 |
3.3189 |
4.0581 |
3.3189 |
1.0892 |
3.6213 |
3.1667 |
4.3217 |
4.3217 |
4.3217 |
4.9234 |
3.6213 |
4.3217 |
3.1667 |
1.7567 |
1.7567 |
|
Maximum atom distance is 4.9234Å
between atoms H6 and H12.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C2 |
Si1 |
C3 |
109.471 |
|
C2 |
Si1 |
C4 |
109.471 |
|
C2 |
Si1 |
C5 |
109.471 |
|
C3 |
Si1 |
C4 |
109.471 |
|
C3 |
Si1 |
C5 |
109.471 |
|
C4 |
Si1 |
C5 |
109.471 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Si1 |
C2 |
H6 |
111.379 |
|
Si1 |
C2 |
H7 |
111.379 |
|
Si1 |
C2 |
H8 |
111.379 |
|
Si1 |
C3 |
H9 |
111.379 |
|
Si1 |
C3 |
H10 |
111.379 |
|
Si1 |
C3 |
H11 |
111.379 |
|
Si1 |
C4 |
H12 |
111.379 |
|
Si1 |
C4 |
H13 |
111.379 |
|
Si1 |
C4 |
H14 |
111.379 |
|
Si1 |
C5 |
H15 |
111.379 |
|
Si1 |
C5 |
H16 |
111.379 |
|
Si1 |
C5 |
H17 |
111.379 |
|
H6 |
C2 |
H7 |
107.498 |
|
H6 |
C2 |
H8 |
107.498 |
|
H7 |
C2 |
H8 |
107.498 |
|
H9 |
C3 |
H10 |
107.498 |
|
H9 |
C3 |
H11 |
107.498 |
|
H10 |
C3 |
H11 |
107.498 |
|
H12 |
C4 |
H13 |
107.498 |
|
H12 |
C4 |
H14 |
107.498 |
|
H13 |
C4 |
H14 |
107.498 |
|
H15 |
C5 |
H16 |
107.498 |
|
H15 |
C5 |
H17 |
107.498 |
|
H16 |
C5 |
H17 |
107.498 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.