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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
B3PW91/6-311G*
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 |
1.0892 |
1.0892 |
1.0892 |
|
0.0000 |
1.5437 |
1.0892 |
| C3 |
-1.0892 |
-1.0892 |
1.0892 |
|
1.5404 |
-0.0033 |
-1.0892 |
| C4 |
-1.0892 |
1.0892 |
-1.0892 |
|
-1.5404 |
-0.0033 |
-1.0892 |
| C5 |
1.0892 |
-1.0892 |
-1.0892 |
|
0.0000 |
-1.5370 |
1.0892 |
| H6 |
1.7369 |
0.4896 |
1.7369 |
|
0.8820 |
1.5797 |
1.7369 |
| H7 |
1.7369 |
1.7369 |
0.4896 |
|
-0.8820 |
1.5797 |
1.7369 |
| H8 |
0.4896 |
1.7369 |
1.7369 |
|
0.0000 |
2.4579 |
0.4896 |
| H9 |
-1.7369 |
-1.7369 |
0.4896 |
|
1.5744 |
-0.8873 |
-1.7369 |
| H10 |
-0.4896 |
-1.7369 |
1.7369 |
|
2.4564 |
-0.0015 |
-0.4896 |
| H11 |
-1.7369 |
-0.4896 |
1.7369 |
|
1.5744 |
0.8767 |
-1.7369 |
| H12 |
-1.7369 |
0.4896 |
-1.7369 |
|
-1.5744 |
-0.8873 |
-1.7369 |
| H13 |
-1.7369 |
1.7369 |
-0.4896 |
|
-1.5744 |
0.8767 |
-1.7369 |
| H14 |
-0.4896 |
1.7369 |
-1.7369 |
|
-2.4564 |
-0.0015 |
-0.4896 |
| H15 |
1.7369 |
-1.7369 |
-0.4896 |
|
0.8820 |
-1.5691 |
1.7369 |
| H16 |
0.4896 |
-1.7369 |
-1.7369 |
|
0.0000 |
-2.4549 |
0.4896 |
| H17 |
1.7369 |
-0.4896 |
-1.7369 |
|
-0.8820 |
-1.5691 |
1.7369 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.8865 |
1.8865 |
1.8865 |
1.8865 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
2.5047 |
| C2 |
1.8865 |
| 3.0807 |
3.0807 |
3.0807 |
1.0948 |
1.0948 |
1.0948 |
4.0415 |
3.3014 |
3.3014 |
4.0415 |
3.3014 |
3.3014 |
3.3014 |
4.0415 |
3.3014 |
| C3 |
1.8865 |
3.0807 |
| 3.0807 |
3.0807 |
3.3014 |
4.0415 |
3.3014 |
1.0948 |
1.0948 |
1.0948 |
3.3014 |
3.3014 |
4.0415 |
3.3014 |
3.3014 |
4.0415 |
| C4 |
1.8865 |
3.0807 |
3.0807 |
| 3.0807 |
4.0415 |
3.3014 |
3.3014 |
3.3014 |
4.0415 |
3.3014 |
1.0948 |
1.0948 |
1.0948 |
4.0415 |
3.3014 |
3.3014 |
| C5 |
1.8865 |
3.0807 |
3.0807 |
3.0807 |
| 3.3014 |
3.3014 |
4.0415 |
3.3014 |
3.3014 |
4.0415 |
3.3014 |
4.0415 |
3.3014 |
1.0948 |
1.0948 |
1.0948 |
| H6 |
2.5047 |
1.0948 |
3.3014 |
4.0415 |
3.3014 |
| 1.7640 |
1.7640 |
4.3106 |
3.1488 |
3.6093 |
4.9128 |
4.3106 |
4.3106 |
3.1488 |
4.3106 |
3.6093 |
| H7 |
2.5047 |
1.0948 |
4.0415 |
3.3014 |
3.3014 |
1.7640 |
| 1.7640 |
4.9128 |
4.3106 |
4.3106 |
4.3106 |
3.6093 |
3.1488 |
3.6093 |
4.3106 |
3.1488 |
| H8 |
2.5047 |
1.0948 |
3.3014 |
3.3014 |
4.0415 |
1.7640 |
1.7640 |
| 4.3106 |
3.6093 |
3.1488 |
4.3106 |
3.1488 |
3.6093 |
4.3106 |
4.9128 |
4.3106 |
| H9 |
2.5047 |
4.0415 |
1.0948 |
3.3014 |
3.3014 |
4.3106 |
4.9128 |
4.3106 |
| 1.7640 |
1.7640 |
3.1488 |
3.6093 |
4.3106 |
3.6093 |
3.1488 |
4.3106 |
| H10 |
2.5047 |
3.3014 |
1.0948 |
4.0415 |
3.3014 |
3.1488 |
4.3106 |
3.6093 |
1.7640 |
| 1.7640 |
4.3106 |
4.3106 |
4.9128 |
3.1488 |
3.6093 |
4.3106 |
| H11 |
2.5047 |
3.3014 |
1.0948 |
3.3014 |
4.0415 |
3.6093 |
4.3106 |
3.1488 |
1.7640 |
1.7640 |
| 3.6093 |
3.1488 |
4.3106 |
4.3106 |
4.3106 |
4.9128 |
| H12 |
2.5047 |
4.0415 |
3.3014 |
1.0948 |
3.3014 |
4.9128 |
4.3106 |
4.3106 |
3.1488 |
4.3106 |
3.6093 |
| 1.7640 |
1.7640 |
4.3106 |
3.1488 |
3.6093 |
| H13 |
2.5047 |
3.3014 |
3.3014 |
1.0948 |
4.0415 |
4.3106 |
3.6093 |
3.1488 |
3.6093 |
4.3106 |
3.1488 |
1.7640 |
| 1.7640 |
4.9128 |
4.3106 |
4.3106 |
| H14 |
2.5047 |
3.3014 |
4.0415 |
1.0948 |
3.3014 |
4.3106 |
3.1488 |
3.6093 |
4.3106 |
4.9128 |
4.3106 |
1.7640 |
1.7640 |
| 4.3106 |
3.6093 |
3.1488 |
| H15 |
2.5047 |
3.3014 |
3.3014 |
4.0415 |
1.0948 |
3.1488 |
3.6093 |
4.3106 |
3.6093 |
3.1488 |
4.3106 |
4.3106 |
4.9128 |
4.3106 |
| 1.7640 |
1.7640 |
| H16 |
2.5047 |
4.0415 |
3.3014 |
3.3014 |
1.0948 |
4.3106 |
4.3106 |
4.9128 |
3.1488 |
3.6093 |
4.3106 |
3.1488 |
4.3106 |
3.6093 |
1.7640 |
| 1.7640 |
| H17 |
2.5047 |
3.3014 |
4.0415 |
3.3014 |
1.0948 |
3.6093 |
3.1488 |
4.3106 |
4.3106 |
4.3106 |
4.9128 |
3.6093 |
4.3106 |
3.1488 |
1.7640 |
1.7640 |
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Maximum atom distance is 4.9128Å
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 |
111.530 |
|
Si1 |
C2 |
H7 |
111.530 |
|
Si1 |
C2 |
H8 |
111.530 |
|
Si1 |
C3 |
H9 |
111.530 |
|
Si1 |
C3 |
H10 |
111.530 |
|
Si1 |
C3 |
H11 |
111.530 |
|
Si1 |
C4 |
H12 |
111.530 |
|
Si1 |
C4 |
H13 |
111.530 |
|
Si1 |
C4 |
H14 |
111.530 |
|
Si1 |
C5 |
H15 |
111.530 |
|
Si1 |
C5 |
H16 |
111.530 |
|
Si1 |
C5 |
H17 |
111.530 |
|
H6 |
C2 |
H7 |
107.336 |
|
H6 |
C2 |
H8 |
107.336 |
|
H7 |
C2 |
H8 |
107.336 |
|
H9 |
C3 |
H10 |
107.336 |
|
H9 |
C3 |
H11 |
107.336 |
|
H10 |
C3 |
H11 |
107.336 |
|
H12 |
C4 |
H13 |
107.336 |
|
H12 |
C4 |
H14 |
107.336 |
|
H13 |
C4 |
H14 |
107.336 |
|
H15 |
C5 |
H16 |
107.336 |
|
H15 |
C5 |
H17 |
107.336 |
|
H16 |
C5 |
H17 |
107.336 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.