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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/TZVP
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 |
1.0949 |
1.0949 |
1.0949 |
|
1.6219 |
0.9819 |
0.0438 |
| C3 |
-1.0949 |
-1.0949 |
1.0949 |
|
0.3858 |
-1.8563 |
-0.0438 |
| C4 |
-1.0949 |
1.0949 |
-1.0949 |
|
-1.0213 |
0.3971 |
1.5478 |
| C5 |
1.0949 |
-1.0949 |
-1.0949 |
|
-0.9864 |
0.4773 |
-1.5478 |
| H6 |
1.7351 |
0.4946 |
1.7351 |
|
2.2300 |
0.7749 |
-0.8322 |
| H7 |
1.7351 |
1.7351 |
0.4946 |
|
1.4329 |
2.0513 |
0.0694 |
| H8 |
0.4946 |
1.7351 |
1.7351 |
|
2.2102 |
0.7294 |
0.9214 |
| H9 |
-1.7351 |
-1.7351 |
0.4946 |
|
-0.5259 |
-2.4463 |
-0.0694 |
| H10 |
-0.4946 |
-1.7351 |
1.7351 |
|
0.9714 |
-2.1150 |
-0.9214 |
| H11 |
-1.7351 |
-0.4946 |
1.7351 |
|
0.9516 |
-2.1605 |
0.8322 |
| H12 |
-1.7351 |
0.4946 |
-1.7351 |
|
-1.9587 |
-0.1519 |
1.5512 |
| H13 |
-1.7351 |
1.7351 |
-0.4946 |
|
-0.4812 |
0.1339 |
2.4528 |
| H14 |
-0.4946 |
1.7351 |
-1.7351 |
|
-1.2585 |
1.4558 |
1.6008 |
| H15 |
1.7351 |
-1.7351 |
-0.4946 |
|
-0.4258 |
0.2611 |
-2.4528 |
| H16 |
0.4946 |
-1.7351 |
-1.7351 |
|
-1.9231 |
-0.0702 |
-1.6008 |
| H17 |
1.7351 |
-0.4946 |
-1.7351 |
|
-1.2229 |
1.5375 |
-1.5512 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.8965 |
1.8965 |
1.8965 |
1.8965 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
2.5031 |
| C2 |
1.8965 |
| 3.0969 |
3.0969 |
3.0969 |
1.0863 |
1.0863 |
1.0863 |
4.0470 |
3.3084 |
3.3084 |
4.0470 |
3.3084 |
3.3084 |
3.3084 |
4.0470 |
3.3084 |
| C3 |
1.8965 |
3.0969 |
| 3.0969 |
3.0969 |
3.3084 |
4.0470 |
3.3084 |
1.0863 |
1.0863 |
1.0863 |
3.3084 |
3.3084 |
4.0470 |
3.3084 |
3.3084 |
4.0470 |
| C4 |
1.8965 |
3.0969 |
3.0969 |
| 3.0969 |
4.0470 |
3.3084 |
3.3084 |
3.3084 |
4.0470 |
3.3084 |
1.0863 |
1.0863 |
1.0863 |
4.0470 |
3.3084 |
3.3084 |
| C5 |
1.8965 |
3.0969 |
3.0969 |
3.0969 |
| 3.3084 |
3.3084 |
4.0470 |
3.3084 |
3.3084 |
4.0470 |
3.3084 |
4.0470 |
3.3084 |
1.0863 |
1.0863 |
1.0863 |
| H6 |
2.5031 |
1.0863 |
3.3084 |
4.0470 |
3.3084 |
| 1.7543 |
1.7543 |
4.3072 |
3.1533 |
3.6084 |
4.9076 |
4.3072 |
4.3072 |
3.1533 |
4.3072 |
3.6084 |
| H7 |
2.5031 |
1.0863 |
4.0470 |
3.3084 |
3.3084 |
1.7543 |
| 1.7543 |
4.9076 |
4.3072 |
4.3072 |
4.3072 |
3.6084 |
3.1533 |
3.6084 |
4.3072 |
3.1533 |
| H8 |
2.5031 |
1.0863 |
3.3084 |
3.3084 |
4.0470 |
1.7543 |
1.7543 |
| 4.3072 |
3.6084 |
3.1533 |
4.3072 |
3.1533 |
3.6084 |
4.3072 |
4.9076 |
4.3072 |
| H9 |
2.5031 |
4.0470 |
1.0863 |
3.3084 |
3.3084 |
4.3072 |
4.9076 |
4.3072 |
| 1.7543 |
1.7543 |
3.1533 |
3.6084 |
4.3072 |
3.6084 |
3.1533 |
4.3072 |
| H10 |
2.5031 |
3.3084 |
1.0863 |
4.0470 |
3.3084 |
3.1533 |
4.3072 |
3.6084 |
1.7543 |
| 1.7543 |
4.3072 |
4.3072 |
4.9076 |
3.1533 |
3.6084 |
4.3072 |
| H11 |
2.5031 |
3.3084 |
1.0863 |
3.3084 |
4.0470 |
3.6084 |
4.3072 |
3.1533 |
1.7543 |
1.7543 |
| 3.6084 |
3.1533 |
4.3072 |
4.3072 |
4.3072 |
4.9076 |
| H12 |
2.5031 |
4.0470 |
3.3084 |
1.0863 |
3.3084 |
4.9076 |
4.3072 |
4.3072 |
3.1533 |
4.3072 |
3.6084 |
| 1.7543 |
1.7543 |
4.3072 |
3.1533 |
3.6084 |
| H13 |
2.5031 |
3.3084 |
3.3084 |
1.0863 |
4.0470 |
4.3072 |
3.6084 |
3.1533 |
3.6084 |
4.3072 |
3.1533 |
1.7543 |
| 1.7543 |
4.9076 |
4.3072 |
4.3072 |
| H14 |
2.5031 |
3.3084 |
4.0470 |
1.0863 |
3.3084 |
4.3072 |
3.1533 |
3.6084 |
4.3072 |
4.9076 |
4.3072 |
1.7543 |
1.7543 |
| 4.3072 |
3.6084 |
3.1533 |
| H15 |
2.5031 |
3.3084 |
3.3084 |
4.0470 |
1.0863 |
3.1533 |
3.6084 |
4.3072 |
3.6084 |
3.1533 |
4.3072 |
4.3072 |
4.9076 |
4.3072 |
| 1.7543 |
1.7543 |
| H16 |
2.5031 |
4.0470 |
3.3084 |
3.3084 |
1.0863 |
4.3072 |
4.3072 |
4.9076 |
3.1533 |
3.6084 |
4.3072 |
3.1533 |
4.3072 |
3.6084 |
1.7543 |
| 1.7543 |
| H17 |
2.5031 |
3.3084 |
4.0470 |
3.3084 |
1.0863 |
3.6084 |
3.1533 |
4.3072 |
4.3072 |
4.3072 |
4.9076 |
3.6084 |
4.3072 |
3.1533 |
1.7543 |
1.7543 |
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Maximum atom distance is 4.9076Å
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 |
111.187 |
|
Si1 |
C2 |
H7 |
111.187 |
|
Si1 |
C2 |
H8 |
111.187 |
|
Si1 |
C3 |
H9 |
111.187 |
|
Si1 |
C3 |
H10 |
111.187 |
|
Si1 |
C3 |
H11 |
111.187 |
|
Si1 |
C4 |
H12 |
111.187 |
|
Si1 |
C4 |
H13 |
111.187 |
|
Si1 |
C4 |
H14 |
111.187 |
|
Si1 |
C5 |
H15 |
111.187 |
|
Si1 |
C5 |
H16 |
111.187 |
|
Si1 |
C5 |
H17 |
111.187 |
|
H6 |
C2 |
H7 |
107.702 |
|
H6 |
C2 |
H8 |
107.702 |
|
H7 |
C2 |
H8 |
107.702 |
|
H9 |
C3 |
H10 |
107.702 |
|
H9 |
C3 |
H11 |
107.702 |
|
H10 |
C3 |
H11 |
107.702 |
|
H12 |
C4 |
H13 |
107.702 |
|
H12 |
C4 |
H14 |
107.702 |
|
H13 |
C4 |
H14 |
107.702 |
|
H15 |
C5 |
H16 |
107.702 |
|
H15 |
C5 |
H17 |
107.702 |
|
H16 |
C5 |
H17 |
107.702 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.