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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/3-21G*
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 |
1.0907 |
1.0907 |
1.0907 |
|
-1.0740 |
-0.9660 |
0.9939 |
| C3 |
-1.0907 |
-1.0907 |
1.0907 |
|
1.0977 |
1.1943 |
1.1755 |
| C4 |
-1.0907 |
1.0907 |
-1.0907 |
|
-1.1071 |
0.9761 |
-0.9563 |
| C5 |
1.0907 |
-1.0907 |
-1.0907 |
|
1.0834 |
-1.2044 |
-1.2130 |
| H6 |
1.7328 |
0.4909 |
1.7328 |
|
-0.4644 |
-1.5404 |
1.5575 |
| H7 |
1.7328 |
1.7328 |
0.4909 |
|
-1.7197 |
-1.6646 |
0.3439 |
| H8 |
0.4909 |
1.7328 |
1.7328 |
|
-1.7116 |
-0.2990 |
1.7037 |
| H9 |
-1.7328 |
-1.7328 |
0.4909 |
|
1.7303 |
1.7674 |
0.6324 |
| H10 |
-0.4909 |
-1.7328 |
1.7328 |
|
1.7492 |
0.6617 |
1.7427 |
| H11 |
-1.7328 |
-0.4909 |
1.7328 |
|
0.5021 |
1.9031 |
1.8888 |
| H12 |
-1.7328 |
0.4909 |
-1.7328 |
|
-0.5171 |
1.5449 |
-1.5406 |
| H13 |
-1.7328 |
1.7328 |
-0.4909 |
|
-1.7454 |
1.6807 |
-0.2842 |
| H14 |
-0.4909 |
1.7328 |
-1.7328 |
|
-1.7535 |
0.3150 |
-1.6440 |
| H15 |
1.7328 |
-1.7328 |
-0.4909 |
|
1.7347 |
-1.7834 |
-0.6921 |
| H16 |
0.4909 |
-1.7328 |
-1.7328 |
|
1.7158 |
-0.6778 |
-1.8023 |
| H17 |
1.7328 |
-0.4909 |
-1.7328 |
|
0.4795 |
-1.9077 |
-1.9057 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.8892 |
1.8892 |
1.8892 |
1.8892 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
2.4992 |
| C2 |
1.8892 |
| 3.0850 |
3.0850 |
3.0850 |
1.0883 |
1.0883 |
1.0883 |
4.0379 |
3.2994 |
3.2994 |
4.0379 |
3.2994 |
3.2994 |
3.2994 |
4.0379 |
3.2994 |
| C3 |
1.8892 |
3.0850 |
| 3.0850 |
3.0850 |
3.2994 |
4.0379 |
3.2994 |
1.0883 |
1.0883 |
1.0883 |
3.2994 |
3.2994 |
4.0379 |
3.2994 |
3.2994 |
4.0379 |
| C4 |
1.8892 |
3.0850 |
3.0850 |
| 3.0850 |
4.0379 |
3.2994 |
3.2994 |
3.2994 |
4.0379 |
3.2994 |
1.0883 |
1.0883 |
1.0883 |
4.0379 |
3.2994 |
3.2994 |
| C5 |
1.8892 |
3.0850 |
3.0850 |
3.0850 |
| 3.2994 |
3.2994 |
4.0379 |
3.2994 |
3.2994 |
4.0379 |
3.2994 |
4.0379 |
3.2994 |
1.0883 |
1.0883 |
1.0883 |
| H6 |
2.4992 |
1.0883 |
3.2994 |
4.0379 |
3.2994 |
| 1.7564 |
1.7564 |
4.3009 |
3.1447 |
3.6020 |
4.9011 |
4.3009 |
4.3009 |
3.1447 |
4.3009 |
3.6020 |
| H7 |
2.4992 |
1.0883 |
4.0379 |
3.2994 |
3.2994 |
1.7564 |
| 1.7564 |
4.9011 |
4.3009 |
4.3009 |
4.3009 |
3.6020 |
3.1447 |
3.6020 |
4.3009 |
3.1447 |
| H8 |
2.4992 |
1.0883 |
3.2994 |
3.2994 |
4.0379 |
1.7564 |
1.7564 |
| 4.3009 |
3.6020 |
3.1447 |
4.3009 |
3.1447 |
3.6020 |
4.3009 |
4.9011 |
4.3009 |
| H9 |
2.4992 |
4.0379 |
1.0883 |
3.2994 |
3.2994 |
4.3009 |
4.9011 |
4.3009 |
| 1.7564 |
1.7564 |
3.1447 |
3.6020 |
4.3009 |
3.6020 |
3.1447 |
4.3009 |
| H10 |
2.4992 |
3.2994 |
1.0883 |
4.0379 |
3.2994 |
3.1447 |
4.3009 |
3.6020 |
1.7564 |
| 1.7564 |
4.3009 |
4.3009 |
4.9011 |
3.1447 |
3.6020 |
4.3009 |
| H11 |
2.4992 |
3.2994 |
1.0883 |
3.2994 |
4.0379 |
3.6020 |
4.3009 |
3.1447 |
1.7564 |
1.7564 |
| 3.6020 |
3.1447 |
4.3009 |
4.3009 |
4.3009 |
4.9011 |
| H12 |
2.4992 |
4.0379 |
3.2994 |
1.0883 |
3.2994 |
4.9011 |
4.3009 |
4.3009 |
3.1447 |
4.3009 |
3.6020 |
| 1.7564 |
1.7564 |
4.3009 |
3.1447 |
3.6020 |
| H13 |
2.4992 |
3.2994 |
3.2994 |
1.0883 |
4.0379 |
4.3009 |
3.6020 |
3.1447 |
3.6020 |
4.3009 |
3.1447 |
1.7564 |
| 1.7564 |
4.9011 |
4.3009 |
4.3009 |
| H14 |
2.4992 |
3.2994 |
4.0379 |
1.0883 |
3.2994 |
4.3009 |
3.1447 |
3.6020 |
4.3009 |
4.9011 |
4.3009 |
1.7564 |
1.7564 |
| 4.3009 |
3.6020 |
3.1447 |
| H15 |
2.4992 |
3.2994 |
3.2994 |
4.0379 |
1.0883 |
3.1447 |
3.6020 |
4.3009 |
3.6020 |
3.1447 |
4.3009 |
4.3009 |
4.9011 |
4.3009 |
| 1.7564 |
1.7564 |
| H16 |
2.4992 |
4.0379 |
3.2994 |
3.2994 |
1.0883 |
4.3009 |
4.3009 |
4.9011 |
3.1447 |
3.6020 |
4.3009 |
3.1447 |
4.3009 |
3.6020 |
1.7564 |
| 1.7564 |
| H17 |
2.4992 |
3.2994 |
4.0379 |
3.2994 |
1.0883 |
3.6020 |
3.1447 |
4.3009 |
4.3009 |
4.3009 |
4.9011 |
3.6020 |
4.3009 |
3.1447 |
1.7564 |
1.7564 |
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Maximum atom distance is 4.9011Å
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 |
111.285 |
|
Si1 |
C2 |
H7 |
111.285 |
|
Si1 |
C2 |
H8 |
111.285 |
|
Si1 |
C3 |
H9 |
111.285 |
|
Si1 |
C3 |
H10 |
111.285 |
|
Si1 |
C3 |
H11 |
111.285 |
|
Si1 |
C4 |
H12 |
111.285 |
|
Si1 |
C4 |
H13 |
111.285 |
|
Si1 |
C4 |
H14 |
111.285 |
|
Si1 |
C5 |
H15 |
111.285 |
|
Si1 |
C5 |
H16 |
111.285 |
|
Si1 |
C5 |
H17 |
111.285 |
|
H6 |
C2 |
H7 |
107.598 |
|
H6 |
C2 |
H8 |
107.598 |
|
H7 |
C2 |
H8 |
107.598 |
|
H9 |
C3 |
H10 |
107.598 |
|
H9 |
C3 |
H11 |
107.598 |
|
H10 |
C3 |
H11 |
107.598 |
|
H12 |
C4 |
H13 |
107.598 |
|
H12 |
C4 |
H14 |
107.598 |
|
H13 |
C4 |
H14 |
107.598 |
|
H15 |
C5 |
H16 |
107.598 |
|
H15 |
C5 |
H17 |
107.598 |
|
H16 |
C5 |
H17 |
107.598 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.