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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/cc-pVTZ
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 |
1.0894 |
1.0894 |
1.0894 |
|
1.0540 |
-1.5544 |
-1.3819 |
C3 |
-1.0894 |
-1.0894 |
1.0894 |
|
1.1248 |
1.5544 |
1.3819 |
C4 |
-1.0894 |
1.0894 |
-1.0894 |
|
-1.0900 |
0.4306 |
-0.4843 |
C5 |
1.0894 |
-1.0894 |
-1.0894 |
|
-1.0887 |
-0.4306 |
0.4843 |
H6 |
1.7331 |
0.4856 |
1.7331 |
|
1.6974 |
-1.8294 |
-1.1300 |
H7 |
1.7331 |
1.7331 |
0.4856 |
|
0.4292 |
-2.4729 |
-2.1986 |
H8 |
0.4856 |
1.7331 |
1.7331 |
|
1.6967 |
-1.3363 |
-1.6846 |
H9 |
-1.7331 |
-1.7331 |
0.4856 |
|
0.5419 |
2.4729 |
2.1986 |
H10 |
-0.4856 |
-1.7331 |
1.7331 |
|
1.7696 |
1.3363 |
1.6846 |
H11 |
-1.7331 |
-0.4856 |
1.7331 |
|
1.7688 |
1.8294 |
1.1300 |
H12 |
-1.7331 |
0.4856 |
-1.7331 |
|
-1.7135 |
1.3285 |
0.2981 |
H13 |
-1.7331 |
1.7331 |
-0.4856 |
|
-0.4866 |
0.6850 |
-0.7705 |
H14 |
-0.4856 |
1.7331 |
-1.7331 |
|
-1.7541 |
-0.4516 |
-1.2845 |
H15 |
1.7331 |
-1.7331 |
-0.4856 |
|
-0.4845 |
-0.6850 |
0.7705 |
H16 |
0.4856 |
-1.7331 |
-1.7331 |
|
-1.7122 |
0.4516 |
1.2845 |
H17 |
1.7331 |
-0.4856 |
-1.7331 |
|
-1.7528 |
-1.3285 |
-0.2981 |
Atom - Atom Distances (Å)
|
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
Si1 |
| 1.8869 |
1.8869 |
1.8869 |
1.8869 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
2.4987 |
C2 |
1.8869 |
| 3.0812 |
3.0812 |
3.0812 |
1.0925 |
1.0925 |
1.0925 |
4.0371 |
3.2957 |
3.2957 |
4.0371 |
3.2957 |
3.2957 |
3.2957 |
4.0371 |
3.2957 |
C3 |
1.8869 |
3.0812 |
| 3.0812 |
3.0812 |
3.2957 |
4.0371 |
3.2957 |
1.0925 |
1.0925 |
1.0925 |
3.2957 |
3.2957 |
4.0371 |
3.2957 |
3.2957 |
4.0371 |
C4 |
1.8869 |
3.0812 |
3.0812 |
| 3.0812 |
4.0371 |
3.2957 |
3.2957 |
3.2957 |
4.0371 |
3.2957 |
1.0925 |
1.0925 |
1.0925 |
4.0371 |
3.2957 |
3.2957 |
C5 |
1.8869 |
3.0812 |
3.0812 |
3.0812 |
| 3.2957 |
3.2957 |
4.0371 |
3.2957 |
3.2957 |
4.0371 |
3.2957 |
4.0371 |
3.2957 |
1.0925 |
1.0925 |
1.0925 |
H6 |
2.4987 |
1.0925 |
3.2957 |
4.0371 |
3.2957 |
| 1.7644 |
1.7644 |
4.3005 |
3.1377 |
3.5998 |
4.9021 |
4.3005 |
4.3005 |
3.1377 |
4.3005 |
3.5998 |
H7 |
2.4987 |
1.0925 |
4.0371 |
3.2957 |
3.2957 |
1.7644 |
| 1.7644 |
4.9021 |
4.3005 |
4.3005 |
4.3005 |
3.5998 |
3.1377 |
3.5998 |
4.3005 |
3.1377 |
H8 |
2.4987 |
1.0925 |
3.2957 |
3.2957 |
4.0371 |
1.7644 |
1.7644 |
| 4.3005 |
3.5998 |
3.1377 |
4.3005 |
3.1377 |
3.5998 |
4.3005 |
4.9021 |
4.3005 |
H9 |
2.4987 |
4.0371 |
1.0925 |
3.2957 |
3.2957 |
4.3005 |
4.9021 |
4.3005 |
| 1.7644 |
1.7644 |
3.1377 |
3.5998 |
4.3005 |
3.5998 |
3.1377 |
4.3005 |
H10 |
2.4987 |
3.2957 |
1.0925 |
4.0371 |
3.2957 |
3.1377 |
4.3005 |
3.5998 |
1.7644 |
| 1.7644 |
4.3005 |
4.3005 |
4.9021 |
3.1377 |
3.5998 |
4.3005 |
H11 |
2.4987 |
3.2957 |
1.0925 |
3.2957 |
4.0371 |
3.5998 |
4.3005 |
3.1377 |
1.7644 |
1.7644 |
| 3.5998 |
3.1377 |
4.3005 |
4.3005 |
4.3005 |
4.9021 |
H12 |
2.4987 |
4.0371 |
3.2957 |
1.0925 |
3.2957 |
4.9021 |
4.3005 |
4.3005 |
3.1377 |
4.3005 |
3.5998 |
| 1.7644 |
1.7644 |
4.3005 |
3.1377 |
3.5998 |
H13 |
2.4987 |
3.2957 |
3.2957 |
1.0925 |
4.0371 |
4.3005 |
3.5998 |
3.1377 |
3.5998 |
4.3005 |
3.1377 |
1.7644 |
| 1.7644 |
4.9021 |
4.3005 |
4.3005 |
H14 |
2.4987 |
3.2957 |
4.0371 |
1.0925 |
3.2957 |
4.3005 |
3.1377 |
3.5998 |
4.3005 |
4.9021 |
4.3005 |
1.7644 |
1.7644 |
| 4.3005 |
3.5998 |
3.1377 |
H15 |
2.4987 |
3.2957 |
3.2957 |
4.0371 |
1.0925 |
3.1377 |
3.5998 |
4.3005 |
3.5998 |
3.1377 |
4.3005 |
4.3005 |
4.9021 |
4.3005 |
| 1.7644 |
1.7644 |
H16 |
2.4987 |
4.0371 |
3.2957 |
3.2957 |
1.0925 |
4.3005 |
4.3005 |
4.9021 |
3.1377 |
3.5998 |
4.3005 |
3.1377 |
4.3005 |
3.5998 |
1.7644 |
| 1.7644 |
H17 |
2.4987 |
3.2957 |
4.0371 |
3.2957 |
1.0925 |
3.5998 |
3.1377 |
4.3005 |
4.3005 |
4.3005 |
4.9021 |
3.5998 |
4.3005 |
3.1377 |
1.7644 |
1.7644 |
|
Maximum atom distance is 4.9021Å
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 |
111.182 |
|
Si1 |
C2 |
H7 |
111.182 |
Si1 |
C2 |
H8 |
111.182 |
|
Si1 |
C3 |
H9 |
111.182 |
Si1 |
C3 |
H10 |
111.182 |
|
Si1 |
C3 |
H11 |
111.182 |
Si1 |
C4 |
H12 |
111.182 |
|
Si1 |
C4 |
H13 |
111.182 |
Si1 |
C4 |
H14 |
111.182 |
|
Si1 |
C5 |
H15 |
111.182 |
Si1 |
C5 |
H16 |
111.182 |
|
Si1 |
C5 |
H17 |
111.182 |
H6 |
C2 |
H7 |
107.708 |
|
H6 |
C2 |
H8 |
107.708 |
H7 |
C2 |
H8 |
107.708 |
|
H9 |
C3 |
H10 |
107.708 |
H9 |
C3 |
H11 |
107.708 |
|
H10 |
C3 |
H11 |
107.708 |
H12 |
C4 |
H13 |
107.708 |
|
H12 |
C4 |
H14 |
107.708 |
H13 |
C4 |
H14 |
107.708 |
|
H15 |
C5 |
H16 |
107.708 |
H15 |
C5 |
H17 |
107.708 |
|
H16 |
C5 |
H17 |
107.708 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.