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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
PBEPBE/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 |
1.1118 |
1.1118 |
1.1118 |
|
0.4972 |
1.5724 |
0.9945 |
| C3 |
-1.1118 |
-1.1118 |
1.1118 |
|
-1.9036 |
0.0000 |
-0.2913 |
| C4 |
-1.1118 |
1.1118 |
-1.1118 |
|
0.9092 |
0.0000 |
-1.6977 |
| C5 |
1.1118 |
-1.1118 |
-1.1118 |
|
0.4972 |
-1.5724 |
0.9945 |
| H6 |
1.7592 |
0.4929 |
1.7592 |
|
-0.0142 |
1.5925 |
1.9740 |
| H7 |
1.7592 |
1.7592 |
0.4929 |
|
1.5877 |
1.5925 |
1.1731 |
| H8 |
0.4929 |
1.7592 |
1.7592 |
|
0.2204 |
2.4879 |
0.4409 |
| H9 |
-1.7592 |
-1.7592 |
0.4929 |
|
-2.2111 |
-0.8954 |
-0.8613 |
| H10 |
-0.4929 |
-1.7592 |
1.7592 |
|
-2.4457 |
0.0000 |
0.6718 |
| H11 |
-1.7592 |
-0.4929 |
1.7592 |
|
-2.2111 |
0.8954 |
-0.8613 |
| H12 |
-1.7592 |
0.4929 |
-1.7592 |
|
0.6376 |
-0.8954 |
-2.2857 |
| H13 |
-1.7592 |
1.7592 |
-0.4929 |
|
0.6376 |
0.8954 |
-2.2857 |
| H14 |
-0.4929 |
1.7592 |
-1.7592 |
|
2.0049 |
0.0000 |
-1.5535 |
| H15 |
1.7592 |
-1.7592 |
-0.4929 |
|
-0.0142 |
-1.5925 |
1.9740 |
| H16 |
0.4929 |
-1.7592 |
-1.7592 |
|
0.2204 |
-2.4879 |
0.4409 |
| H17 |
1.7592 |
-0.4929 |
-1.7592 |
|
1.5877 |
-1.5925 |
1.1731 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.9258 |
1.9258 |
1.9258 |
1.9258 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
2.5363 |
| C2 |
1.9258 |
| 3.1448 |
3.1448 |
3.1448 |
1.1051 |
1.1051 |
1.1051 |
4.1072 |
3.3522 |
3.3522 |
4.1072 |
3.3522 |
3.3522 |
3.3522 |
4.1072 |
3.3522 |
| C3 |
1.9258 |
3.1448 |
| 3.1448 |
3.1448 |
3.3522 |
4.1072 |
3.3522 |
1.1051 |
1.1051 |
1.1051 |
3.3522 |
3.3522 |
4.1072 |
3.3522 |
3.3522 |
4.1072 |
| C4 |
1.9258 |
3.1448 |
3.1448 |
| 3.1448 |
4.1072 |
3.3522 |
3.3522 |
3.3522 |
4.1072 |
3.3522 |
1.1051 |
1.1051 |
1.1051 |
4.1072 |
3.3522 |
3.3522 |
| C5 |
1.9258 |
3.1448 |
3.1448 |
3.1448 |
| 3.3522 |
3.3522 |
4.1072 |
3.3522 |
3.3522 |
4.1072 |
3.3522 |
4.1072 |
3.3522 |
1.1051 |
1.1051 |
1.1051 |
| H6 |
2.5363 |
1.1051 |
3.3522 |
4.1072 |
3.3522 |
| 1.7909 |
1.7909 |
4.3653 |
3.1850 |
3.6540 |
4.9759 |
4.3653 |
4.3653 |
3.1850 |
4.3653 |
3.6540 |
| H7 |
2.5363 |
1.1051 |
4.1072 |
3.3522 |
3.3522 |
1.7909 |
| 1.7909 |
4.9759 |
4.3653 |
4.3653 |
4.3653 |
3.6540 |
3.1850 |
3.6540 |
4.3653 |
3.1850 |
| H8 |
2.5363 |
1.1051 |
3.3522 |
3.3522 |
4.1072 |
1.7909 |
1.7909 |
| 4.3653 |
3.6540 |
3.1850 |
4.3653 |
3.1850 |
3.6540 |
4.3653 |
4.9759 |
4.3653 |
| H9 |
2.5363 |
4.1072 |
1.1051 |
3.3522 |
3.3522 |
4.3653 |
4.9759 |
4.3653 |
| 1.7909 |
1.7909 |
3.1850 |
3.6540 |
4.3653 |
3.6540 |
3.1850 |
4.3653 |
| H10 |
2.5363 |
3.3522 |
1.1051 |
4.1072 |
3.3522 |
3.1850 |
4.3653 |
3.6540 |
1.7909 |
| 1.7909 |
4.3653 |
4.3653 |
4.9759 |
3.1850 |
3.6540 |
4.3653 |
| H11 |
2.5363 |
3.3522 |
1.1051 |
3.3522 |
4.1072 |
3.6540 |
4.3653 |
3.1850 |
1.7909 |
1.7909 |
| 3.6540 |
3.1850 |
4.3653 |
4.3653 |
4.3653 |
4.9759 |
| H12 |
2.5363 |
4.1072 |
3.3522 |
1.1051 |
3.3522 |
4.9759 |
4.3653 |
4.3653 |
3.1850 |
4.3653 |
3.6540 |
| 1.7909 |
1.7909 |
4.3653 |
3.1850 |
3.6540 |
| H13 |
2.5363 |
3.3522 |
3.3522 |
1.1051 |
4.1072 |
4.3653 |
3.6540 |
3.1850 |
3.6540 |
4.3653 |
3.1850 |
1.7909 |
| 1.7909 |
4.9759 |
4.3653 |
4.3653 |
| H14 |
2.5363 |
3.3522 |
4.1072 |
1.1051 |
3.3522 |
4.3653 |
3.1850 |
3.6540 |
4.3653 |
4.9759 |
4.3653 |
1.7909 |
1.7909 |
| 4.3653 |
3.6540 |
3.1850 |
| H15 |
2.5363 |
3.3522 |
3.3522 |
4.1072 |
1.1051 |
3.1850 |
3.6540 |
4.3653 |
3.6540 |
3.1850 |
4.3653 |
4.3653 |
4.9759 |
4.3653 |
| 1.7909 |
1.7909 |
| H16 |
2.5363 |
4.1072 |
3.3522 |
3.3522 |
1.1051 |
4.3653 |
4.3653 |
4.9759 |
3.1850 |
3.6540 |
4.3653 |
3.1850 |
4.3653 |
3.6540 |
1.7909 |
| 1.7909 |
| H17 |
2.5363 |
3.3522 |
4.1072 |
3.3522 |
1.1051 |
3.6540 |
3.1850 |
4.3653 |
4.3653 |
4.3653 |
4.9759 |
3.6540 |
4.3653 |
3.1850 |
1.7909 |
1.7909 |
|
Maximum atom distance is 4.9759Å
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 |
110.676 |
|
Si1 |
C2 |
H7 |
110.676 |
|
Si1 |
C2 |
H8 |
110.676 |
|
Si1 |
C3 |
H9 |
110.676 |
|
Si1 |
C3 |
H10 |
110.676 |
|
Si1 |
C3 |
H11 |
110.676 |
|
Si1 |
C4 |
H12 |
110.676 |
|
Si1 |
C4 |
H13 |
110.676 |
|
Si1 |
C4 |
H14 |
110.676 |
|
Si1 |
C5 |
H15 |
110.676 |
|
Si1 |
C5 |
H16 |
110.676 |
|
Si1 |
C5 |
H17 |
110.676 |
|
H6 |
C2 |
H7 |
108.240 |
|
H6 |
C2 |
H8 |
108.240 |
|
H7 |
C2 |
H8 |
108.240 |
|
H9 |
C3 |
H10 |
108.240 |
|
H9 |
C3 |
H11 |
108.240 |
|
H10 |
C3 |
H11 |
108.240 |
|
H12 |
C4 |
H13 |
108.240 |
|
H12 |
C4 |
H14 |
108.240 |
|
H13 |
C4 |
H14 |
108.240 |
|
H15 |
C5 |
H16 |
108.240 |
|
H15 |
C5 |
H17 |
108.240 |
|
H16 |
C5 |
H17 |
108.240 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.